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GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

Tai-Sung Lee1, David S Cerutti1, Dan Mermelstein2

  • 1Laboratory for Biomolecular Simulation Research, Center for Integrative Proteomics Research and Department of Chemistry and Chemical Biology , Rutgers University , Piscataway , New Jersey 08854 , United States.

Journal of Chemical Information and Modeling
|September 11, 2018
PubMed

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