CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Bernard R. Brooks;Robert E. Bruccoleri;Barry D. Olafson;David J. States.
Journal of Computational Chemistry (1983)
CHARMM: the biomolecular simulation program.
B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson.
Journal of Computational Chemistry (2009)
Constant pressure molecular dynamics simulation: The Langevin piston method
Scott E. Feller;Yuhong Zhang;Richard W. Pastor;Bernard R. Brooks.
Journal of Chemical Physics (1995)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
New spherical-cutoff methods for long-range forces in macromolecular simulation
Peter J. Steinbach;Bernard R. Brooks.
Journal of Computational Chemistry (1994)
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.
Peter Eastman;Jason Swails;John D. Chodera;Robert T. McGibbon.
PLOS Computational Biology (2017)
Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.
Bernard Brooks;Martin Karplus.
Proceedings of the National Academy of Sciences of the United States of America (1983)
An analysis of the accuracy of Langevin and molecular dynamics algorithms
Richard W. Pastor;Bernard R. Brooks;Attila Szabo.
Molecular Physics (1988)
Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide
Richard J. Loncharich;Bernard R. Brooks;Richard W. Pastor.
CHARMM: The Energy Function and Its Parameterization
Alexander D. MacKerell;Bernard Brooks;Charles L. Brooks;Lennart Nilsson.
Encyclopedia of Computational Chemistry (2002)
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