Protein

Biocomputations complement experimental techniques to expand our understanding of proteins, molecules which carry out critical functions within our bodies and which have been associated with diseases such as Alzheimer's and cystic fibrosis.

Recently updated projects

total
projects
63
projects with
downloads

News

Image not available

OpenSim gets high marks as a multibody system simulator

Simbody: Multibody Physics API Aug 3, 2015
Image not available

Macromolecular Simulation Software Workshop featuring OpenMM

OpenMM Jul 15, 2015
Image not available

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.

HTMD: High-Throughput Molecular Dynamics for Molecular Discovery

Tek, A., Korostelev, A.A. and Flores, S.C. (2015) MMB-GUI: a fast morphing method demonstrates a possible ribosomal tRNA translocation trajectory. Nucleic Acids Res., 10.1093/nar/gkv1457.

Discussion

Image not available

Re: Obtaining CustomNonbondedForce's shortest pairwise interaction

OpenMM Nov 13, 2019
Image not available

Re: Simulation Loadstate RPMD

OpenMM Nov 11, 2019
Image not available

Re: Scaling force vs scaling PE in AMDForceGroupIntegrator

OpenMM Nov 11, 2019

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.

Our Pledge and Your Responsibility

  About   Join
Version 4.0. Website design by Viewfarm. Icons created by SimTK team using art by GraphBerry from www.flaticon.com under a CC BY 3.0 license. Forked from FusionForge 6.0.5.
Feedback