Bernard R Brooks, Ph.D.
Affiliations: | National Heart, Lung, and Blood Institute | National Institutes of Health, Bethesda, MD |
Area:
Computational BiophysicsWebsite:
http://www.lobos.nih.gov/cbs/Google:
"Bernard Brooks"Bio:
Chief, Laboratory of Computational Biology
Mean distance: 7.69 | S | N | B | C | P |
Parents
Sign in to add mentor| Henry F. Schaefer, III | grad student | 1979 | UC Berkeley |
| Martin Karplus | post-doc | Harvard |
Children
Sign in to add trainee| Ada Y Chen | grad student | ||
| Edward P O'Brien | grad student | 2008 | University of Maryland |
| Phillip S Hudson | grad student | 2017-2021 | National Insitutes of Health |
| Thomas E. Cheatham | post-doc | ||
| Mia A. Rosenfeld | post-doc | ||
| Félix Aviat | post-doc | 2020- | NIH (NIBIB) |
| Henry Lee Woodcock III | post-doc | 2003-2009 | NIH |
BETA: Related publications
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Publications
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| Chen AY, Brooks BR, Damjanovic A. (2023) Ion channel selectivity through ion-modulated changes of selectivity filter p values. Proceedings of the National Academy of Sciences of the United States of America. 120: e2220343120 |
| Hudson PS, Aviat F, Meana-Pañeda R, et al. (2022) Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. Journal of Computer-Aided Molecular Design |
| Chen AY, Lee J, Damjanovic A, et al. (2022) Protein p Prediction by Tree-Based Machine Learning. Journal of Chemical Theory and Computation. 18: 2673-2686 |
| Choi YK, Kern NR, Kim S, et al. (2021) CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems. Journal of Chemical Theory and Computation |
| Chen AY, Brooks BR, Damjanovic A. (2021) Determinants of conductance of a bacterial voltage gated sodium channel. Biophysical Journal |
| Ghorbani M, Hudson PS, Jones MR, et al. (2021) A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge. Journal of Computer-Aided Molecular Design |
| Wu X, Brooks BR. (2020) Reformulation of the self-guided molecular simulation method. The Journal of Chemical Physics. 153: 094112 |
| Zeindlhofer V, Hudson P, Pálvölgyi ÁM, et al. (2020) Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether. International Journal of Molecular Sciences. 21 |
| Roe DR, Brooks BR. (2020) A protocol for preparing explicitly solvated systems for stable molecular dynamics simulations. The Journal of Chemical Physics. 153: 054123 |
| Smith DGA, Burns LA, Simmonett AC, et al. (2020) Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of Chemical Physics. 152: 184108 |