More bang for your buck: Improved use of GPU nodes for GROMACS 2018
Kutzner, Carsten, Páll, Szilárd, Fechner, Martin, Esztermann, Ansgar, Groot, Bert L., Grubmüller, Helmut
Published in Journal of computational chemistry (15.10.2019)
Published in Journal of computational chemistry (15.10.2019)
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Journal Article
Ligand docking and binding site analysis with PyMOL and Autodock/Vina
Seeliger, Daniel, de Groot, Bert L.
Published in Journal of computer-aided molecular design (01.05.2010)
Published in Journal of computer-aided molecular design (01.05.2010)
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Journal Article
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Huang, Jing, Rauscher, Sarah, Nawrocki, Grzegorz, Ran, Ting, Feig, Michael, de Groot, Bert L, Grubmüller, Helmut, MacKerell, Alexander D
Published in Nature methods (01.01.2017)
Published in Nature methods (01.01.2017)
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Journal Article
Molecular mechanism of a potassium channel gating through activation gate-selectivity filter coupling
Kopec, Wojciech, Rothberg, Brad S., de Groot, Bert L.
Published in Nature communications (26.11.2019)
Published in Nature communications (26.11.2019)
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Journal Article
The Persistent Question of Potassium Channel Permeation Mechanisms
Mironenko, Andrei, Zachariae, Ulrich, de Groot, Bert L., Kopec, Wojciech
Published in Journal of molecular biology (20.08.2021)
Published in Journal of molecular biology (20.08.2021)
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Journal Article
Low vitamin D status is associated with reduced muscle mass and impaired physical performance in frail elderly people
Tieland, M, Brouwer-Brolsma, E M, Nienaber-Rousseau, C, van Loon, L J C, De Groot, L C P G M
Published in European journal of clinical nutrition (01.10.2013)
Published in European journal of clinical nutrition (01.10.2013)
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Journal Article
Mechanism of selectivity in aquaporins and aquaglyceroporins
Hub, Jochen S, de Groot, Bert L
Published in Proceedings of the National Academy of Sciences - PNAS (29.01.2008)
Published in Proceedings of the National Academy of Sciences - PNAS (29.01.2008)
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Journal Article
A Non-canonical Voltage-Sensing Mechanism Controls Gating in K2P K+ Channels
Schewe, Marcus, Nematian-Ardestani, Ehsan, Sun, Han, Musinszki, Marianne, Cordeiro, Sönke, Bucci, Giovanna, de Groot, Bert L., Tucker, Stephen J., Rapedius, Markus, Baukrowitz, Thomas
Published in Cell (25.02.2016)
Published in Cell (25.02.2016)
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Journal Article
Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
Rauscher, Sarah, Gapsys, Vytautas, Gajda, Michal J, Zweckstetter, Markus, de Groot, Bert L, Grubmüller, Helmut
Published in Journal of chemical theory and computation (10.11.2015)
Published in Journal of chemical theory and computation (10.11.2015)
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Journal Article
Resolving coupled pH titrations using alchemical free energy calculations
Wilson, Carter J., Groot, Bert L., Gapsys, Vytautas
Published in Journal of computational chemistry (30.06.2024)
Published in Journal of computational chemistry (30.06.2024)
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Journal Article
Protein intake and lean body mass preservation during energy intake restriction in overweight older adults
Backx, E M P, Tieland, M, Borgonjen-van den Berg, K J, Claessen, P R, van Loon, L J C, de Groot, L C P G M
Published in International Journal of Obesity (01.02.2016)
Published in International Journal of Obesity (01.02.2016)
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Journal Article