Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Lubecka EA"'
Autor:
Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Czaplewski C; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities, Gdańsk, Poland., Sieradzan AK; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities, Gdańsk, Poland., Lipska AG; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Dziadek Ł; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities, Gdańsk, Poland., Liwo A; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities, Gdańsk, Poland. adam.liwo@ug.edu.pl.
Publikováno v:
Methods in molecular biology (Clifton, N.J.) [Methods Mol Biol] 2025; Vol. 2867, pp. 19-41.
Autor:
Lensink MF; Univ. Lille, CNRS, UMR8576 - UGSF - Unité de Glycobiologie Structurale et Fonctionnelle, Lille, France., Brysbaert G; Univ. Lille, CNRS, UMR8576 - UGSF - Unité de Glycobiologie Structurale et Fonctionnelle, Lille, France., Raouraoua N; Univ. Lille, CNRS, UMR8576 - UGSF - Unité de Glycobiologie Structurale et Fonctionnelle, Lille, France., Bates PA; Biomolecular Modeling Laboratory, The Francis Crick Institute, London, UK., Giulini M; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Utrecht, The Netherlands., Honorato RV; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Utrecht, The Netherlands., van Noort C; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Utrecht, The Netherlands., Teixeira JMC; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Utrecht, The Netherlands., Bonvin AMJJ; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Utrecht, The Netherlands., Kong R; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Shi H; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Lu X; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Chang S; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Liu J; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Guo Z; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Chen X; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Morehead A; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Roy RS; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Wu T; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Giri N; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Quadir F; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Chen C; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Cheng J; Dept. of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Del Carpio CA; Choju-Medical Institute, Fukushimuta Hospital, Toyohashi-City, Aichi-ken, Japan., Ichiishi E; International University of Health and Welfare (IUHV Hospital), Nasushiobara-City, Japan., Rodriguez-Lumbreras LA; Instituto de Ciencias de la Vida y del Vino (ICVV), CSIC - Universidad de La Rioja - Gobierno de La Rioja, Logrono, Spain.; Barcelona Supercomputing Center (BSC), Barcelona, Spain., Fernandez-Recio J; Instituto de Ciencias de la Vida y del Vino (ICVV), CSIC - Universidad de La Rioja - Gobierno de La Rioja, Logrono, Spain.; Barcelona Supercomputing Center (BSC), Barcelona, Spain., Harmalkar A; Dept. of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA., Chu LS; Dept. of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA., Canner S; Dept. of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA., Smanta R; Dept. of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA., Gray JJ; Dept. of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA.; Program in Molecular Biophysics, Johns Hopkins University, Baltimore, Maryland, USA., Li H; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Lin P; School of Physics, Huazhong University of Science and Technology, Wuhan, China., He J; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Tao H; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Huang SY; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Roel-Touris J; Protein Design and Modeling Lab, Dept. of Structural Biology, Molecular Biology Institute of Barcelona (IBMB-CSIC), Barcelona, Spain., Jimenez-Garcia B; Zymvol Biomodeling, Barcelona, Spain., Christoffer CW; Dept. of Computer Science, Purdue University, West Lafayette, Indiana, USA., Jain AJ; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Kagaya Y; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Kannan H; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA.; Dept. of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India., Nakamura T; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Terashi G; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Verburgt JC; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Zhang Y; Dept. of Computer Science, Purdue University, West Lafayette, Indiana, USA., Zhang Z; Dept. of Computer Science, Purdue University, West Lafayette, Indiana, USA., Fujuta H; Dept. of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India., Sekijima M; Dept. of Computer Science, Tokyo Institute of Technology, Yokohama, Japan., Kihara D; Dept. of Computer Science, Purdue University, West Lafayette, Indiana, USA.; Dept. of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Khan O; Boston University, Boston, Massachusetts, USA., Kotelnikov S; Stony Brook University, New York City, New York, USA., Ghani U; Boston University, Boston, Massachusetts, USA., Padhorny D; Stony Brook University, New York City, New York, USA., Beglov D; Boston University, Boston, Massachusetts, USA., Vajda S; Boston University, Boston, Massachusetts, USA., Kozakov D; Stony Brook University, New York City, New York, USA., Negi SS; Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch, Galveston, Texas, USA., Ricciardelli T; King Abdullah University of Science and Technology (KAUST), Saudi Arabia., Barradas-Bautista D; King Abdullah University of Science and Technology (KAUST), Saudi Arabia., Cao Z; King Abdullah University of Science and Technology (KAUST), Saudi Arabia., Chawla M; King Abdullah University of Science and Technology (KAUST), Saudi Arabia., Cavallo L; King Abdullah University of Science and Technology (KAUST), Saudi Arabia.; Department of Chemistry and Biology, University of Salerno, Fisciano, Italy., Oliva R; University of Naples 'Parthenope', Naples, Italy., Yin R; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Dept. of Cell Biology and Molecular Genetics, University of Maryland, College Park, Maryland, USA., Cheung M; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Dept. of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USA., Guest JD; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Dept. of Cell Biology and Molecular Genetics, University of Maryland, College Park, Maryland, USA., Lee J; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Dept. of Cell Biology and Molecular Genetics, University of Maryland, College Park, Maryland, USA., Pierce BG; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Dept. of Cell Biology and Molecular Genetics, University of Maryland, College Park, Maryland, USA., Shor B; School of Computer Science and Engineering, The Hebrew University of Jerusalem, Jerusalem, Israel., Cohen T; School of Computer Science and Engineering, The Hebrew University of Jerusalem, Jerusalem, Israel., Halfon M; School of Computer Science and Engineering, The Hebrew University of Jerusalem, Jerusalem, Israel., Schneidman-Duhovny D; School of Computer Science and Engineering, The Hebrew University of Jerusalem, Jerusalem, Israel., Zhu S; Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas, USA., Yin R; Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas, USA., Sun Y; Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas, USA., Shen Y; Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas, USA.; Department of Computer Science and Engineering, Texas A&M University, College Station, Texas, USA.; Institute of Biosciences and Technology and Department of Translational Medical Sciences, Texas A&M University, Houston, Texas, USA., Maszota-Zieleniak M; University of Gdansk, Gdansk, Poland., Bojarski KK; Technical University of Gdansk, Gdansk, Poland., Lubecka EA; Technical University of Gdansk, Gdansk, Poland., Marcisz M; University of Gdansk, Gdansk, Poland., Danielsson A; University of Gdansk, Gdansk, Poland., Dziadek L; University of Gdansk, Gdansk, Poland., Gaardlos M; University of Gdansk, Gdansk, Poland., Gieldon A; University of Gdansk, Gdansk, Poland., Liwo A; University of Gdansk, Gdansk, Poland., Samsonov SA; University of Gdansk, Gdansk, Poland., Slusarz R; University of Gdansk, Gdansk, Poland., Zieba K; University of Gdansk, Gdansk, Poland., Sieradzan AK; University of Gdansk, Gdansk, Poland., Czaplewski C; University of Gdansk, Gdansk, Poland., Kobayashi S; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Miyakawa Y; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Kiyota Y; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Takeda-Shitaka M; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Olechnovic K; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Valancauskas L; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Dapkunas J; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Venclovas C; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Wallner B; Bioinformatics Division, Department of Physics, Chemistry, and Biology, Linkoping University, Linköping, Sweden., Yang L; National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin, China.; School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, New South Wales, Australia., Hou C; School of Electronics and Information Engineering, Harbin Institute of Technology, Harbin, China., He X; National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin, China.; Shenzhen STRONG Advanced Materials Research Institute Col, Ltd, Shenzhen, People's Republic of China., Guo S; National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin, China., Jiang S; National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin, China., Ma X; National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin, China., Duan R; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Qui L; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Xu X; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Zou X; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA.; Dept. of Physics and Astronomy, University of Missouri, Columbia, Missouri, USA.; Dept. of Biochemistry, University of Missouri, Columbia, Missouri, USA.; Institute for Data Science and Informatics, University of Missouri, Columbia, Missouri, USA., Velankar S; Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Hinxton, Cambridge, UK., Wodak SJ; VIB-VUB Center for Structural Biology, Brussels, Belgium.
Publikováno v:
Proteins [Proteins] 2023 Dec; Vol. 91 (12), pp. 1658-1683. Date of Electronic Publication: 2023 Oct 31.
Autor:
Sieradzan AK; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Sans-Duñó J; Department of Chemistry, University of Lleida, Lleida, Spain., Lubecka EA; Faculty of Electronics, Telecommunication and Informatics, Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Czaplewski C; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Lipska AG; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Leszczyński H; Faculty of Mathematics, Physics and Informatics, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Ocetkiewicz KM; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Proficz J; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Czarnul P; Faculty of Electronics, Telecommunication and Informatics, Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Krawczyk H; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.; Faculty of Electronics, Telecommunication and Informatics, Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Liwo A; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.
Publikováno v:
Journal of computational chemistry [J Comput Chem] 2023 Feb 05; Vol. 44 (4), pp. 602-625. Date of Electronic Publication: 2022 Nov 15.
Autor:
Ślusarz R; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Lubecka EA; Faculty of Electronics, Telecommunication and Informatics, Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Czaplewski C; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland., Liwo A; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities in Gdańsk, Gdańsk, Poland.
Publikováno v:
Frontiers in molecular biosciences [Front Mol Biosci] 2022 Dec 14; Vol. 9, pp. 1071428. Date of Electronic Publication: 2022 Dec 14 (Print Publication: 2022).
Autor:
Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, Gdańsk, Poland., Liwo A; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland.
Publikováno v:
Journal of computational chemistry [J Comput Chem] 2022 Dec 05; Vol. 43 (31), pp. 2047-2059. Date of Electronic Publication: 2022 Sep 22.
Autor:
Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdansk University of Technology, G. Narutowicza 11/12, 80-233 Gdansk, Poland., Hansmann UHE; Department of Chemistry & Biochemistry, University of Oklahoma, Norman, Oklahoma 73019,United States.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2022 Aug 25; Vol. 126 (33), pp. 6221-6230. Date of Electronic Publication: 2022 Aug 16.
Autor:
Sieradzan AK; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland., Czaplewski C; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland., Krupa P; Institute of Physics, Polish Academy of Sciences, Warsaw, Poland., Mozolewska MA; Institute of Computer Science, Polish Academy of Sciences, Warsaw, Poland., Karczyńska AS; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland., Lipska AG; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland., Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, Gdańsk, Poland., Gołaś E; Institute of Physics, Polish Academy of Sciences, Warsaw, Poland., Wirecki T; Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology in Warsaw, Warsaw, Poland., Makowski M; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland., Ołdziej S; Laboratory of Biopolymer Structure, Intercollegiate Faculty of Biotechnology, University of Gdańsk and Medical University of Gdańsk, Gdańsk, Poland., Liwo A; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland. adam.liwo@ug.edu.pl.
Publikováno v:
Methods in molecular biology (Clifton, N.J.) [Methods Mol Biol] 2022; Vol. 2376, pp. 399-416.
Autor:
Czaplewski C; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland., Gong Z; Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, China., Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, Gdańsk, Poland., Xue K; PKU-Tsinghua Center for Life Sciences, Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing, China., Tang C; PKU-Tsinghua Center for Life Sciences, Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing, China., Liwo A; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland.
Publikováno v:
Frontiers in molecular biosciences [Front Mol Biosci] 2021 Dec 24; Vol. 8, pp. 765562. Date of Electronic Publication: 2021 Dec 24 (Print Publication: 2021).
Autor:
Lensink MF; CNRS UMR8576 UGSF, Institute for Structural and Functional Glycobiology, University of Lille, Lille, France., Brysbaert G; CNRS UMR8576 UGSF, Institute for Structural and Functional Glycobiology, University of Lille, Lille, France., Mauri T; CNRS UMR8576 UGSF, Institute for Structural and Functional Glycobiology, University of Lille, Lille, France., Nadzirin N; Protein Data Bank in Europe (PDBe), European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Cambridge, UK., Velankar S; Protein Data Bank in Europe (PDBe), European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Cambridge, UK., Chaleil RAG; Biomolecular Modelling Laboratory, The Francis Crick Institute, London, UK., Clarence T; Biomolecular Modelling Laboratory, The Francis Crick Institute, London, UK., Bates PA; Biomolecular Modelling Laboratory, The Francis Crick Institute, London, UK., Kong R; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Liu B; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Yang G; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Liu M; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Shi H; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Lu X; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Chang S; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China., Roy RS; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Quadir F; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Liu J; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA., Cheng J; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri, USA.; Institute for Data Science and Informatics, University of Missouri, Columbia, Missouri, USA., Antoniak A; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Czaplewski C; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Giełdoń A; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Kogut M; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Lipska AG; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Liwo A; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdansk University of Technology, Gdansk, Poland., Maszota-Zieleniak M; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Sieradzan AK; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Ślusarz R; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Wesołowski PA; Faculty of Chemistry, University of Gdansk, Gdansk, Poland.; Intercollegiate Faculty of Biotechnology, University of Gdansk and Medical University of Gdansk, Gdansk, Poland., Zięba K; Faculty of Chemistry, University of Gdansk, Gdansk, Poland., Del Carpio Muñoz CA; Graduate School of Medical Sciences, Nagoya City University, Nagoya, Japan., Ichiishi E; International University of Health and Welfare Hospital (IUHW Hospital), Nasushiobara City, Japan., Harmalkar A; Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA., Gray JJ; Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, USA., Bonvin AMJJ; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Ambrosetti F; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Vargas Honorato R; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Jandova Z; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Jiménez-García B; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Koukos PI; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Van Keulen S; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Van Noort CW; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Réau M; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Roel-Touris J; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Kotelnikov S; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York, USA.; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York, USA.; Innopolis University, Russia., Padhorny D; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York, USA.; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York, USA., Porter KA; Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA., Alekseenko A; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York, USA.; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York, USA.; Institute of Computer-Aided Design of the Russian Academy of Sciences, Moscow, Russia., Ignatov M; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York, USA.; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York, USA., Desta I; Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA., Ashizawa R; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York, USA.; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York, USA., Sun Z; Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA., Ghani U; Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA., Hashemi N; Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA., Vajda S; Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA.; Department of Chemistry, Boston University, Boston, Massachusetts, USA., Kozakov D; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York, USA.; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York, USA., Rosell M; Instituto de Ciencias de la Vid y del Vino (ICVV), CSIC - Universidad de la Rioja - Gobierno de La Rioja, Logrono, Spain.; Barcelona Supercomputing Center (BSC), Barcelona, Spain., Rodríguez-Lumbreras LA; Instituto de Ciencias de la Vid y del Vino (ICVV), CSIC - Universidad de la Rioja - Gobierno de La Rioja, Logrono, Spain.; Barcelona Supercomputing Center (BSC), Barcelona, Spain., Fernandez-Recio J; Instituto de Ciencias de la Vid y del Vino (ICVV), CSIC - Universidad de la Rioja - Gobierno de La Rioja, Logrono, Spain.; Barcelona Supercomputing Center (BSC), Barcelona, Spain., Karczynska A; Université Grenoble Alpes, Inria, CNRS, Grenoble INP, LJK, Grenoble, France., Grudinin S; Université Grenoble Alpes, Inria, CNRS, Grenoble INP, LJK, Grenoble, France., Yan Y; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Li H; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Lin P; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Huang SY; School of Physics, Huazhong University of Science and Technology, Wuhan, China., Christoffer C; Department of Computer Science, Purdue University, West Lafayette, Indiana, USA., Terashi G; Department of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Verburgt J; Department of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Sarkar D; Department of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Aderinwale T; Department of Computer Science, Purdue University, West Lafayette, Indiana, USA., Wang X; Department of Computer Science, Purdue University, West Lafayette, Indiana, USA., Kihara D; Department of Computer Science, Purdue University, West Lafayette, Indiana, USA.; Department of Biological Sciences, Purdue University, West Lafayette, Indiana, USA., Nakamura T; Graduate School of Information Sciences, Tohoku University, Sendai, Miyagi, Japan., Hanazono Y; Institute for Quantum Life Science, National Institutes for Quantum and Radiological Science and Technology, Tokai, Ibaraki, Japan., Gowthaman R; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, Maryland, USA., Guest JD; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, Maryland, USA., Yin R; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, Maryland, USA., Taherzadeh G; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, Maryland, USA., Pierce BG; University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, Maryland, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, Maryland, USA., Barradas-Bautista D; King Abdullah University of Science and Technology, Thuwal, Saudi Arabia., Cao Z; King Abdullah University of Science and Technology, Thuwal, Saudi Arabia., Cavallo L; King Abdullah University of Science and Technology, Thuwal, Saudi Arabia., Oliva R; University of Naples 'Parthenope', Napoli, Italy., Sun Y; Department of Electrical and Computer Engineering, Texas A&M University, Texas, USA., Zhu S; Department of Electrical and Computer Engineering, Texas A&M University, Texas, USA., Shen Y; Department of Electrical and Computer Engineering, Texas A&M University, Texas, USA., Park T; Department of Chemistry, Seoul National University, Seoul, Republic of Korea., Woo H; Department of Chemistry, Seoul National University, Seoul, Republic of Korea., Yang J; Department of Chemistry, Seoul National University, Seoul, Republic of Korea., Kwon S; Department of Chemistry, Seoul National University, Seoul, Republic of Korea., Won J; Department of Chemistry, Seoul National University, Seoul, Republic of Korea., Seok C; Department of Chemistry, Seoul National University, Seoul, Republic of Korea., Kiyota Y; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Kobayashi S; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Harada Y; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Takeda-Shitaka M; School of Pharmacy, Kitasato University, Minato-ku, Tokyo, Japan., Kundrotas PJ; Computational Biology Program and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas, USA., Singh A; Computational Biology Program and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas, USA., Vakser IA; Computational Biology Program and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas, USA., Dapkūnas J; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Olechnovič K; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Venclovas Č; Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania., Duan R; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Qiu L; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Xu X; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Zhang S; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA., Zou X; Institute for Data Science and Informatics, University of Missouri, Columbia, Missouri, USA.; Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, USA.; Department of Physics and Astronomy, University of Missouri, Columbia, Missouri, USA.; Department of Biochemistry, University of Missouri, Columbia, Missouri, USA., Wodak SJ; Center for Structural Biology, VIB-VUB, Brussels, Belgium.
Publikováno v:
Proteins [Proteins] 2021 Dec; Vol. 89 (12), pp. 1800-1823. Date of Electronic Publication: 2021 Sep 13.
Autor:
Antoniak A; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Biskupek I; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Bojarski KK; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Czaplewski C; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Giełdoń A; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Kogut M; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Kogut MM; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Krupa P; Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, Warsaw, PL-02668, Poland., Lipska AG; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Liwo A; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland; School of Computational Sciences, Korea Institute for Advanced Study, 87 Hoegiro, Dongdaemun-gu, 130-722, Seoul, Republic of Korea. Electronic address: adam.liwo@ug.edu.pl., Lubecka EA; Faculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, G. Narutowicza 11/12, 80-233, Gdańsk, Poland., Marcisz M; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland; Intercollegiate Faculty of Biotechnology, University of Gdańsk and Medical University of Gdańsk, ul. Abrahama 58, 80-307, Gdańsk, Poland., Maszota-Zieleniak M; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Samsonov SA; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Sieradzan AK; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Ślusarz MJ; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Ślusarz R; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland., Wesołowski PA; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland; Intercollegiate Faculty of Biotechnology, University of Gdańsk and Medical University of Gdańsk, ul. Abrahama 58, 80-307, Gdańsk, Poland., Ziȩba K; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland.
Publikováno v:
Journal of molecular graphics & modelling [J Mol Graph Model] 2021 Nov; Vol. 108, pp. 108008. Date of Electronic Publication: 2021 Aug 17.