CAPRI-Q: The CAPRI resource evaluating the quality of predicted structures of protein complexes.

Autor: Collins KW; Computational Biology Program, The University of Kansas, Lawrence, KS 66045, USA., Copeland MM; Computational Biology Program, The University of Kansas, Lawrence, KS 66045, USA., Brysbaert G; Univ. Lille, CNRS, UMR 8576 - UGSF - Unité de Glycobiologie Structurale et Fonctionnelle, F-59000 Lille, France., Wodak SJ; VIB-VUB Center for Structural Biology, Brussels, Belgium., Bonvin AMJJ; Bijvoet Centre for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, The Netherlands., Kundrotas PJ; Computational Biology Program, The University of Kansas, Lawrence, KS 66045, USA. Electronic address: pkundro@ku.edu., Vakser IA; Computational Biology Program, The University of Kansas, Lawrence, KS 66045, USA; Department of Molecular Biology, The University of Kansas, Lawrence, KS 66045, USA. Electronic address: vakser@ku.edu., Lensink MF; Univ. Lille, CNRS, UMR 8576 - UGSF - Unité de Glycobiologie Structurale et Fonctionnelle, F-59000 Lille, France. Electronic address: marc.lensink@univ-lille.fr.

Publikováno v: Journal of molecular biology [J Mol Biol] 2024 Sep 01; Vol. 436 (17), pp. 168540. Date of Electronic Publication: 2024 Mar 16.

Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.

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.

Analysis of the proximal promoter of the human colon-specific B4GALNT2 (Sda synthase) gene:B4GALNT2 is transcriptionally regulated by ETS1

Autor: Wavelet-Vermuse, C. (Cindy), Groux, S. (Sophie), Vicogne, D. (Dorothee), Cogez, V. (Virginie), Venturi, G. (Giulia), Trinchera, M. (Marco), Brysbaert, G. (Guillaume), Krzewinski, M-A. (Marie-Ange), Hadj Bachir, E. (Elsa), Schulz, C. (Celine), Vincent, A. (Audrey), Van Seuningen, I. (Isabelle), Harduin Lepers, A. (Anne)

Background: The Sda antigen and corresponding biosynthetic enzyme B4GALNT2 are primarily expressed in normal colonic mucosa and are down-regulated to a variable degree in colon cancer tissues. Although their expression profile is well studied, little

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______4198::f484e56e9d9a8142664b6688deb54a41
http://hdl.handle.net/20.500.12210/55977

TRPM8-Rap1A Interaction Sites as Critical Determinants for Adhesion and Migration of Prostate and Other Epithelial Cancer Cells.

Autor: Chinigò G; Department of Life Sciences and Systems Biology, University of Torino, 10123 Torino, Italy.; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Grolez GP; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Audero M; Department of Life Sciences and Systems Biology, University of Torino, 10123 Torino, Italy.; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Bokhobza A; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Bernardini M; Department of Life Sciences and Systems Biology, University of Torino, 10123 Torino, Italy., Cicero J; CNRS, INSERM, CHU Lille, Centre Oscar Lambret, UMR 9020-UMR 1277-Canther-Cancer Heterogeneity, Plasticity and Resistance to Therapies, University of Lille, F-59000 Lille, France.; UR 2465-Laboratoire de la Barrière Hémato-Encéphalique (LBHE), University of Artois, F-62300 Lens, France., Toillon RA; CNRS, INSERM, CHU Lille, Centre Oscar Lambret, UMR 9020-UMR 1277-Canther-Cancer Heterogeneity, Plasticity and Resistance to Therapies, University of Lille, F-59000 Lille, France., Bailleul Q; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Visentin L; Department of Life Sciences and Systems Biology, University of Torino, 10123 Torino, Italy., Ruffinatti FA; Department of Life Sciences and Systems Biology, University of Torino, 10123 Torino, Italy., Brysbaert G; CNRS UMR 8576-UGSF-Unité de Glycobiologie Structurale et Fonctionnelle, University of Lille, 59000 Lille, France., Lensink MF; CNRS UMR 8576-UGSF-Unité de Glycobiologie Structurale et Fonctionnelle, University of Lille, 59000 Lille, France., De Ruyck J; CNRS UMR 8576-UGSF-Unité de Glycobiologie Structurale et Fonctionnelle, University of Lille, 59000 Lille, France., Cantelmo AR; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Fiorio Pla A; Department of Life Sciences and Systems Biology, University of Torino, 10123 Torino, Italy.; INSERM, U1003-PHYCEL-Physiologie Cellulaire, University of Lille, F-59000 Lille, France., Gkika D; CNRS, INSERM, CHU Lille, Centre Oscar Lambret, UMR 9020-UMR 1277-Canther-Cancer Heterogeneity, Plasticity and Resistance to Therapies, University of Lille, F-59000 Lille, France.; Department of Molecular and Cell Biology, University of California, Berkeley, CA 94720, USA.; Institut Universitaire de France (IUF), 75231 Paris, France.

Publikováno v: Cancers [Cancers (Basel)] 2022 Apr 30; Vol. 14 (9). Date of Electronic Publication: 2022 Apr 30.

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.

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.