Bernard R. Brooks
Bernard R. Brooks
NIH NHLBI
E-mail confirmado em nih.gov - Página inicial
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States, dj; swaminathan, s.; karplus, m
BR Brooks, RE Bruccoleri, BD Olafson
J. comput. Chem 4 (2), 187-217, 1983
17535*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
65141983
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
56922009
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
32881995
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
1721*1998
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
15912015
New spherical‐cutoff methods for long‐range forces in macromolecular simulation
PJ Steinbach, BR Brooks
Journal of computational chemistry 15 (7), 667-683, 1994
9751994
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
9371983
An analysis of the accuracy of Langevin and molecular dynamics algorithms
RW Pastor, BR Brooks, A Szabo
Molecular Physics 65 (6), 1409-1419, 1988
6631988
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
6381992
Harmonic analysis of large systems. I. Methodology
BR Brooks, D Janežič, M Karplus
Journal of computational chemistry 16 (12), 1522-1542, 1995
5261995
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
4111985
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
4071996
Solvent-induced forces between two hydrophilic groups
SR Durell, BR Brooks, A Ben-Naim
The Journal of Physical Chemistry 98 (8), 2198-2202, 1994
4011994
The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications
BR Brooks, HF Schaefer III
The Journal of Chemical Physics 70 (11), 5092-5106, 1979
3791979
Analytic gradients from correlated wave functions via the two‐particle density matrix and the unitary group approach
BR Brooks, WD Laidig, P Saxe, JD Goddard, Y Yamaguchi, ...
The Journal of Chemical Physics 72 (8), 4652-4653, 1980
3701980
Self-guided Langevin dynamics simulation method
X Wu, BR Brooks
Chemical Physics Letters 381 (3-4), 512-518, 2003
3552003
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
3462017
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
3411995
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
3272007
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Artigos 1–20