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: Drone

Simbody: SimTK multibody dynamics API May 28, 2023
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Openmm and The octanol/water partition coefficient (Kow)

OpenMM Apr 27, 2023
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alchemical tutorial, OpenMM 8.0 problem

OpenMM Apr 25, 2023

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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