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Disambiguation of "de Groot, Bert L."

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pmx: Automated protein structure and topology generation for alchemical perturbations.

, , , and . J. Comput. Chem., 36 (5): 348-354 (2015)

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Bert Groot

Bert Groot

Joost de Groot

Herbert de Groot

Herbert de Groot

 

Other publications of authors with the same name

Ligand docking and binding site analysis with PyMOL and Autodock/Vina., and . J. Comput. Aided Mol. Des., 24 (5): 417-422 (2010)The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations., , , , , , , , , and 7 other author(s). J. Comput. Aided Mol. Des., 34 (5): 601-633 (2020)pmx: Automated protein structure and topology generation for alchemical perturbations., , , and . J. Comput. Chem., 36 (5): 348-354 (2015)A comparison of techniques for calculating protein essential dynamics., , , , and . J. Comput. Chem., 18 (2): 169-181 (1997)Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics, , , , , , , , , and 1 other author(s). Journal of Biomolecular NMR, (2008)Conformational Transitions upon Ligand Binding: Holo-Structure Prediction from Apo Conformations., and . PLoS Comput. Biol., (2010)Current State of Open Source Force Fields in Protein-Ligand Binding Affinity Predictions., , , , and . J. Chem. Inf. Model., 64 (13): 5063-5076 (2024)More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018., , , , , and . CoRR, (2019)Collective Dynamics Underlying Allosteric Transitions in Hemoglobin., and . PLoS Comput. Biol., (2013)Mechanism of selectivity in aquaporins and aquaglyceroporins, and . Proc. Natl. Acad. Sci. U. S. A., 105 (4): 1198-1203 (2008)