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Bernard R Brooks, Ph.D.

Affiliations: 
National Heart, Lung, and Blood Institute National Institutes of Health, Bethesda, MD 
Area:
Computational Biophysics
Website:
http://www.lobos.nih.gov/cbs/
Google:
"Bernard Brooks"
Bio:

Chief, Laboratory of Computational Biology

Mean distance: 7.69
 
SNBCP
BETA: Related publications

Publications

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Simmonett AC, Brooks BR. (2021) Analytical Hessians for Ewald and particle mesh Ewald electrostatics. The Journal of Chemical Physics. 154: 104101
Yu Y, Krämer A, Venable RM, et al. (2021) Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion. Journal of Chemical Theory and Computation
Yu Y, Krämer A, Venable RM, et al. (2021) CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids. Journal of Chemical Theory and Computation
Simmonett AC, Brooks BR. (2021) A compression strategy for particle mesh Ewald theory. The Journal of Chemical Physics. 154: 054112
Roe DR, Brooks BR. (2021) Improving the speed of volumetric density map generation via cubic spline interpolation. Journal of Molecular Graphics & Modelling. 104: 107832
Krämer A, Ghysels A, Wang E, et al. (2020) Membrane permeability of small molecules from unbiased molecular dynamics simulations. The Journal of Chemical Physics. 153: 124107
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
Damjanovic A, Chen AY, Rosenberg RL, et al. (2019) Protonation state of the selectivity filter of bacterial voltage-gated sodium channels is modulated by ions. Proteins
Krämer A, Pickard FC, Huang J, et al. (2019) Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects. Journal of Chemical Theory and Computation
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