Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Koukos PI"'
Autor:
Buchanan, Cj, Gaunt, B, Harrison, Pj, Yang, Y, Liu, J, Khan, A, Giltrap, Am, Le Bas, A, Ward, Pn, Gupta, K, Dumoux, M, Tan, Tk, Schimaski, L, Daga, S, Picchiotti, N, Baldassarri, M, Benetti, E, Fallerini, C, Fava, F, Giliberti, A, Koukos, Pi, Davy, Mj, Lakshminarayanan, A, Xue, X, Papadakis, G, Deimel, Lp, Casablancas-Antràs, V, Claridge, Tdw, Bonvin, Amjj, Settentau, Qj, Furini, S, Gori, M, Huo, J, Owens, Rj, Schaffitzel, C, Berger, I, Renieri, A, GEN-COVID Multicenter Study, Naismith, Jh, Baldwin, Aj, Davis, Bg
Publikováno v:
Science, 377(6604), 1. American Association for the Advancement of Science
Berger-Schaffitzel, C H & Berger, I 2022, ' Pathogen-sugar interactions revealed by universal saturation transfer analysis ', Science, vol. 377, no. 6604 . https://doi.org/10.1126/science.abm3125
Science
Berger-Schaffitzel, C H & Berger, I 2022, ' Pathogen-sugar interactions revealed by universal saturation transfer analysis ', Science, vol. 377, no. 6604 . https://doi.org/10.1126/science.abm3125
Science
Many pathogens exploit host cell-surface glycans. However, precise analyses of glycan ligands binding with heavily modified pathogen proteins can be confounded by overlapping sugar signals and/or compounded with known experimental constraints. Univer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f495263d9986e4c507c6361f37e4830a
https://ora.ox.ac.uk/objects/uuid:983bb274-46bb-4873-8119-d49f6684e908
https://ora.ox.ac.uk/objects/uuid:983bb274-46bb-4873-8119-d49f6684e908
Autor:
Honorato RV; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Trellet ME; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Fluigent, Le Kremlin-Bicêtre, France., Jiménez-García B; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Zymvol Biomodeling SL, Barcelona, Spain., Schaarschmidt JJ; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Karlsruhe Institute of Technology (KIT), Institute of Nanotechnology, Eggenstein-Leopoldshafen, Germany., Giulini M; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Reys V; 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.; Biomedical Research Foundation, Academy of Athens, Athens, Greece., Rodrigues JPGLM; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Schrödinger Inc., New York, NY, USA., Karaca E; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Izmir Biomedicine and Genome Center, Izimir, Turkey., van Zundert GCP; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Schrödinger Inc., New York, NY, USA., Roel-Touris J; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Protein Design and Modeling Lab, Department of Structural Biology, Molecular Biology Institute of Barcelona (IBMB-CSIC), Barcelona, Spain., van Noort CW; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Jandová Z; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Boehringer Ingelheim International GmbH, Vienna, Austria., Melquiond ASJ; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Utrecht Medical Center, Utrecht, the Netherlands., Bonvin AMJJ; Computational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands. a.m.j.j.bonvin@uu.nl.
Publikováno v:
Nature protocols [Nat Protoc] 2024 Jun 17. Date of Electronic Publication: 2024 Jun 17.
Autor:
Koukos PI; Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece., Dehghani-Ghahnaviyeh S; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Velez-Vega C; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Manchester J; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Tieleman DP; Department of Biological Sciences, University of Calgary, Calgary T2N 1N4 Alberta, Canada.; Centre for Molecular Simulation, University of Calgary, Calgary T2N 1N4 Alberta, Canada., Duca JS; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Souza PCT; Molecular Microbiology and Structural Biochemistry, (MMSB, UMR 5086), CNRS & University of Lyon, 69367 Lyon, France.; Laboratory of Biology and Modeling of the Cell, École Normale Supérieure de Lyon, Université Claude Bernard Lyon 1, CNRS UMR 5239 and Inserm U1293, 46 Allée d'Italie, 69364 Lyon, France., Cournia Z; Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Dec 12; Vol. 19 (23), pp. 8901-8918. Date of Electronic Publication: 2023 Nov 29.
Autor:
van der Krift F; Center for Molecular Medicine and Oncode Institute, University Medical Center Utrecht, Utrecht, The Netherlands., Zijlmans DW; Department of Molecular Biology and Oncode Institute, Faculty of Science, Radboud Institute for Molecular Life Sciences, Radboud University Nijmegen, Nijmegen, The Netherlands., Shukla R; NMR Spectroscopy, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Javed A; NMR Spectroscopy, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.; Division of Infectious Diseases and Immunology, Department of Biomolecular Health Sciences, Utrecht University, Utrecht, The Netherlands., Koukos PI; Computational Structural Biology, Bijvoet Centre for Biomolecular Research, Faculty of Science, Department of Chemistry, Utrecht University, Utrecht, The Netherlands., Schwarz LL; Center for Molecular Medicine and Oncode Institute, University Medical Center Utrecht, Utrecht, The Netherlands., Timmermans-Sprang EP; Department of Clinical Sciences of Companion Animals, Utrecht University, Utrecht, The Netherlands., Maas PE; Specs Compound Handling B.V., Zoetermeer, The Netherlands., Gahtory D; BIMINI Biotech B.V., Leiden, The Netherlands., van den Nieuwboer M; BIMINI Biotech B.V., Leiden, The Netherlands., Mol JA; Department of Clinical Sciences of Companion Animals, Utrecht University, Utrecht, The Netherlands., Strous GJ; Center for Molecular Medicine, Cell Biology, University Medical Center Utrecht, Utrecht, The Netherlands., Bonvin AM; Computational Structural Biology, Bijvoet Centre for Biomolecular Research, Faculty of Science, Department of Chemistry, Utrecht University, Utrecht, The Netherlands., van der Stelt M; Department of Molecular Physiology and Oncode Institute, Leiden Institute of Chemistry, Leiden University, Leiden, The Netherlands., Veldhuizen EJ; Division of Infectious Diseases and Immunology, Department of Biomolecular Health Sciences, Utrecht University, Utrecht, The Netherlands., Weingarth M; NMR Spectroscopy, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands., Vermeulen M; Department of Molecular Biology and Oncode Institute, Faculty of Science, Radboud Institute for Molecular Life Sciences, Radboud University Nijmegen, Nijmegen, The Netherlands., Klumperman J; Center for Molecular Medicine, Cell Biology, University Medical Center Utrecht, Utrecht, The Netherlands., Maurice MM; Center for Molecular Medicine and Oncode Institute, University Medical Center Utrecht, Utrecht, The Netherlands M.M.Maurice@umcutrecht.nl.
Publikováno v:
Life science alliance [Life Sci Alliance] 2023 Aug 17; Vol. 6 (11). Date of Electronic Publication: 2023 Aug 17 (Print Publication: 2023).
Autor:
Buchanan CJ; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK.; Kavli Institute of Nanoscience Discovery, University of Oxford, Oxford OX1 3QU, UK., Gaunt B; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK., Harrison PJ; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK.; Diamond Light Source, Harwell Science and Innovation Campus, Oxfordshire, UK., Yang Y; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK., Liu J; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK., Khan A; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK., Giltrap AM; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK., Le Bas A; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK., Ward PN; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK., Gupta K; Max Planck Bristol Centre for Minimal Biology, University of Bristol, Bristol, UK., Dumoux M; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK., Tan TK; MRC Human Immunology Unit, Weatherall Institute of Molecular Medicine, University of Oxford, John Radcliffe Hospital, Oxford, UK., Schimaski L; MRC Human Immunology Unit, Weatherall Institute of Molecular Medicine, University of Oxford, John Radcliffe Hospital, Oxford, UK., Daga S; Medical Genetics, University of Siena, Siena, Italy.; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy., Picchiotti N; Department of Information Engineering and Mathematics, University of Siena, Siena, Italy.; Department of Mathematics, University of Pavia, Pavia, Italy., Baldassarri M; Medical Genetics, University of Siena, Siena, Italy.; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy., Benetti E; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy., Fallerini C; Medical Genetics, University of Siena, Siena, Italy.; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy., Fava F; Medical Genetics, University of Siena, Siena, Italy.; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy.; Genetica Medica, Azienda Ospedaliera Universitaria Senese, Siena, Italy., Giliberti A; Medical Genetics, University of Siena, Siena, Italy.; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy., Koukos PI; Bijvoet Centre for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, Netherlands., Davy MJ; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK., Lakshminarayanan A; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK., Xue X; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK.; Sir William Dunn School of Pathology, Oxford, UK., Papadakis G; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK., Deimel LP; Sir William Dunn School of Pathology, Oxford, UK., Casablancas-Antràs V; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK.; Kavli Institute of Nanoscience Discovery, University of Oxford, Oxford OX1 3QU, UK., Claridge TDW; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK., Bonvin AMJJ; Bijvoet Centre for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, Netherlands., Sattentau QJ; Sir William Dunn School of Pathology, Oxford, UK., Furini S; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy., Gori M; Department of Information Engineering and Mathematics, University of Siena, Siena, Italy.; Maasai, I3S CNRS, Université Côte d'Azur, Nice, France., Huo J; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK., Owens RJ; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK., Schaffitzel C; Bijvoet Centre for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, Netherlands., Berger I; Bijvoet Centre for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, Netherlands., Renieri A; Medical Genetics, University of Siena, Siena, Italy.; Med Biotech Hub and Competence Center, Department of Medical Biotechnologies, University of Siena, Siena, Italy.; Genetica Medica, Azienda Ospedaliera Universitaria Senese, Siena, Italy., Naismith JH; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Headington, Oxford OX3 7BN, UK., Baldwin AJ; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK.; Kavli Institute of Nanoscience Discovery, University of Oxford, Oxford OX1 3QU, UK., Davis BG; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Oxford OX11 0FA, UK.; Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK.; Department of Pharmacology, University of Oxford, Oxford OX1 3QT, UK.
Publikováno v:
Science (New York, N.Y.) [Science] 2022 Jul 22; Vol. 377 (6604), pp. eabm3125. Date of Electronic Publication: 2022 Jul 22.
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:
Koukos PI; Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht 3584CH, The Netherlands., Réau M; Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht 3584CH, The Netherlands., Bonvin AMJJ; Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, Utrecht 3584CH, The Netherlands.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2021 Sep 27; Vol. 61 (9), pp. 4807-4818. Date of Electronic Publication: 2021 Aug 26.
Autor:
Honorato RV; Bijvoet Centre for Biomolecular Research, Faculty of Science, Department of Chemistry, Utrecht University, Utrecht, Netherlands., Koukos PI; Bijvoet Centre for Biomolecular Research, Faculty of Science, Department of Chemistry, Utrecht University, Utrecht, Netherlands., Jiménez-García B; Bijvoet Centre for Biomolecular Research, Faculty of Science, Department of Chemistry, Utrecht University, Utrecht, Netherlands., Tsaregorodtsev A; Aix Marseille University, CNRS/IN2P3, CPPM, Marseille, France., Verlato M; INFN, Sezione di Padova, Padova, Italy., Giachetti A; Department of Chemistry and Magnetic Resonance Center, University of Florence, and C.I.R.M.M.P, Fiorentino, Italy., Rosato A; Department of Chemistry and Magnetic Resonance Center, University of Florence, and C.I.R.M.M.P, Fiorentino, Italy., Bonvin AMJJ; Bijvoet Centre for Biomolecular Research, Faculty of Science, Department of Chemistry, Utrecht University, Utrecht, Netherlands.
Publikováno v:
Frontiers in molecular biosciences [Front Mol Biosci] 2021 Jul 28; Vol. 8, pp. 729513. Date of Electronic Publication: 2021 Jul 28 (Print Publication: 2021).
Autor:
Matos-Filipe P; Center for Neuroscience and Cell Biology, University of Coimbra, Coimbra 3005-504, Portugal., Preto AJ; Center for Neuroscience and Cell Biology, University of Coimbra, Coimbra 3005-504, Portugal.; PhD Programme in Experimental Biology and Biomedicine, Institute for Interdisciplinary Research, University of Coimbra, Coimbra, 3030-789, Portugal., Koukos PI; Bijvoet Centre for Biomolecular Research, Faculty of Science-Chemistry, Utrecht University, Utrecht, 3584, CH, Netherlands., Mourão J; Center for Neuroscience and Cell Biology, University of Coimbra, Coimbra 3005-504, Portugal., Bonvin AMJJ; Bijvoet Centre for Biomolecular Research, Faculty of Science-Chemistry, Utrecht University, Utrecht, 3584, CH, Netherlands., Moreira IS; Department of Life Sciences, University of Coimbra, Coimbra, 3000-456, Portugal.; Center for Neuroscience and Cell Biology, Center for Innovative Biomedicine and Biotechnology, University of Coimbra, Coimbra, Portugal.
Publikováno v:
Database : the journal of biological databases and curation [Database (Oxford)] 2021 Apr 05; Vol. 2021.
Autor:
Schwarz M; Institute of Applied Synthetic Chemistry, TU Wien Getreidemarkt 9 1060 Vienna Austria hannes.mikula@tuwien.ac.at.; ARCHIMED Life Science GmbH Leberstraße 20 1110 Vienna Austria., Skrinjar P; Institute of Applied Synthetic Chemistry, TU Wien Getreidemarkt 9 1060 Vienna Austria hannes.mikula@tuwien.ac.at., Fink MJ; Department of Chemistry and Chemical Biology, Harvard University 12 Oxford Street Cambridge MA 02138 USA., Kronister S; Institute of Applied Synthetic Chemistry, TU Wien Getreidemarkt 9 1060 Vienna Austria hannes.mikula@tuwien.ac.at., Mechtler T; ARCHIMED Life Science GmbH Leberstraße 20 1110 Vienna Austria., Koukos PI; Bijvoet Centre for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University Padualaan 8 3584CH Utrecht The Netherlands., Bonvin AMJJ; Bijvoet Centre for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University Padualaan 8 3584CH Utrecht The Netherlands., Kasper DC; ARCHIMED Life Science GmbH Leberstraße 20 1110 Vienna Austria., Mikula H; Institute of Applied Synthetic Chemistry, TU Wien Getreidemarkt 9 1060 Vienna Austria hannes.mikula@tuwien.ac.at.
Publikováno v:
Chemical science [Chem Sci] 2020 Oct 23; Vol. 11 (47), pp. 12671-12676. Date of Electronic Publication: 2020 Oct 23.