Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning-Reference-Cited by-同舟云学术

Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning

Published:2015-03-30 Issue:4 Volume:11 Page:1864-1874
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hopkins Chad W.¹,Le Grand Scott²,Walker Ross C.³,Roitberg Adrian E.⁴

Affiliation:

1. Department of Physics, Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States

2. Amazon Web Services, 2201 Westlake Ave., Suite 500, Seattle, Washington 98121, United States

3. San Diego Supercomputer Center & Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive, MC0505, La Jolla, California 92093-0505, United States

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

Funder

Office of Cyberinfrastructure

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct5010406

Reference45 articles.

1. Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics

2. Combining experiment and simulation in protein folding: closing the gap for small model systems

3. GPU-accelerated molecular modeling coming of age

4. Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

5. The protein folding ‘speed limit’

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