Bernard R. Brooks
Bernard R. Brooks
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Cited by
Cited by
States DJ, Swaminathan S, Karplus M. CHARMM: a program for macromolecular energy, minimization, and dynamics calculations
BR Brooks, RE Bruccoleri, BD Olafson
J. comput. Chem 4 (2), 187-217, 1983
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
BR Brooks, RE Bruccoleri, BD Olafson, DJ States, S Swaminathan, ...
Journal of computational chemistry 4 (2), 187-217, 1983
CHARMM: the biomolecular simulation program
BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ...
Journal of computational chemistry 30 (10), 1545-1614, 2009
Constant pressure molecular dynamics simulation: The Langevin piston method
SE Feller, Y Zhang, RW Pastor, BR Brooks
The Journal of chemical physics 103 (11), 4613-4621, 1995
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
P Eastman, J Swails, JD Chodera, RT McGibbon, Y Zhao, KA Beauchamp, ...
PLoS computational biology 13 (7), e1005659, 2017
CHARMM: the energy function and its parameterization
AD MacKerell Jr, B Brooks, CL Brooks III, L Nilsson, B Roux, Y Won, ...
Encyclopedia of computational chemistry 1, 2002
New spherical‐cutoff methods for long‐range forces in macromolecular simulation
PJ Steinbach, BR Brooks
Journal of computational chemistry 15 (7), 667-683, 1994
Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide
RJ Loncharich, BR Brooks, RW Pastor
Biopolymers: Original Research on Biomolecules 32 (5), 523-535, 1992
Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.
B Brooks, M Karplus
Proceedings of the National Academy of Sciences 80 (21), 6571-6575, 1983
An analysis of the accuracy of Langevin and molecular dynamics algorithms
RW Pastor, BR Brooks, A Szabo
Molecular Physics 65 (6), 1409-1419, 1988
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
PSI4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of chemical physics 152 (18), 2020
Harmonic analysis of large systems. I. Methodology
BR Brooks, D Janežič, M Karplus
Journal of computational chemistry 16 (12), 1522-1542, 1995
Solvent-induced forces between two hydrophilic groups
SR Durell, BR Brooks, A Ben-Naim
The Journal of Physical Chemistry 98 (8), 2198-2202, 1994
Self-guided Langevin dynamics simulation method
X Wu, BR Brooks
Chemical Physics Letters 381 (3-4), 512-518, 2003
Normal modes for specific motions of macromolecules: application to the hinge-bending mode of lysozyme.
B Brooks, M Karplus
Proceedings of the National Academy of Sciences 82 (15), 4995-4999, 1985
Effect of electrostatic force truncation on interfacial and transport properties of water
SE Feller, RW Pastor, A Rojnuckarin, S Bogusz, BR Brooks
The Journal of Physical Chemistry 100 (42), 17011-17020, 1996
Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water
Y Zhang, SE Feller, BR Brooks, RW Pastor
The Journal of chemical physics 103 (23), 10252-10266, 1995
Interactions between hydrophobic and ionic solutes in aqueous guanidinium chloride and urea solutions: lessons for protein denaturation mechanism
EP O'Brien, RI Dima, B Brooks, D Thirumalai
Journal of the American Chemical Society 129 (23), 7346-7353, 2007
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