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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

Conformational Transitions upon Ligand Binding: Holo-Structure Prediction from Apo Conformations., and . PLoS Comput. Biol., (2010)Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation., , and . PLoS Comput. Biol., (2010)GROMACS in the cloud: A global supercomputer to speed up alchemical drug design., , , , , , and . CoRR, (2022)pmx Webserver: A User Friendly Interface for Alchemistry., and . Journal of Chemical Information and Modeling, 57 (2): 109-114 (2017)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)Ligand docking and binding site analysis with PyMOL and Autodock/Vina., and . J. Comput. Aided Mol. Des., 24 (5): 417-422 (2010)Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset., , , , , , and . J. Comput. Aided Mol. Des., 33 (12): 1031-1043 (2019)pmx: Automated protein structure and topology generation for alchemical perturbations., , , and . J. Comput. Chem., 36 (5): 348-354 (2015)Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open Source Software for Drug Design., , , , , and . J. Chem. Inf. Model., 62 (5): 1172-1177 (2022)tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules., and . J. Comput. Chem., 30 (7): 1160-1166 (2009)