GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features-Reference-Cited by-同舟云学术

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

Published:2018-09-10 Issue:10 Volume:58 Page:2043-2050
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lee Tai-Sung¹^ORCID,Cerutti David S.¹,Mermelstein Dan²,Lin Charles²^ORCID,LeGrand Scott³,Giese Timothy J.¹,Roitberg Adrian⁴^ORCID,Case David A.¹^ORCID,Walker Ross C.⁵,York Darrin M.¹^ORCID

Affiliation:

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

2. Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, United States

3. A9.com, Palo Alto, California 94301, United States

4. Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States

5. GlaxoSmithKline PLC, 1250 South Collegeville Road, Collegeville, Pennsylvania 19426, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00462

Reference66 articles.

1. Accelerating molecular modeling applications with graphics processors

2. General purpose molecular dynamics simulations fully implemented on graphics processing units

3. ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

4. GPU-accelerated molecular modeling coming of age

5. Advancements in Molecular Dynamics Simulations of Biomolecules on Graphical Processing Units

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