Myosin

Computational methods are providing new insights into our understanding of myosin, a motor protein critical for muscle contractions.

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News

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OpenSim gets high marks as a multibody system simulator

Simbody: Multibody Physics API Aug 3, 2015
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Macromolecular Simulation Software Workshop featuring OpenMM

OpenMM Jul 15, 2015
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OpenMM 6.1 Available

OpenMM Sep 30, 2014

Publications

P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, and V. S. Pande. "OpenMM 7: Rapid development of high performance algorithms for molecular dynamics." PLOS Comp. Biol. 13(7): e1005659.

David A. Sivak, John D. Chodera, and Gavin E. Crooks. Phys. Rev. X 3, 011007

M. Senne, B. Trendelkamp-Schroer, A.S.J.S. Mey, C. Schütte, F. Noe: "EMMA - A software package for Markov model building and analysis". J. Chem. Theo. Comput 2012, 8 (7), pp 2223–2238 DOI: 10.1021/ct300274u

Discussion

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Re: Does the neighbor list update when setPositions is called using C++ API?

OpenMM Nov 15, 2024
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Re: Setting up Dual Topology Files for Mutation Alchemical Free Perturbation

OpenMM Nov 13, 2024
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Re: Reflective wall to prevent water from penetrating the lipid bilayer

OpenMM Nov 12, 2024

SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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