Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package-Reference-Cited by-同舟云学术

Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package

Author:

Mermelstein Daniel J.¹^ORCID,Lin Charles¹²,Nelson Gard³,Kretsch Rachael¹⁴,McCammon J. Andrew¹,Walker Ross C.¹²

Affiliation:

1. Department of Chemistry & Biochemistry; University of California San Diego, 9500 Gilman Drive; La Jolla California 92093

2. GlaxoSmithKline PLC, 1250 S. Collegeville Rd; Collegeville Pennsylvania 19426

3. NantBioscience, Inc., 9920 Jefferson Boulevard; Culver City California 90232

4. Harvey Mudd College, 301 Platt Blvd; Claremont California 91711

Funder

National Institutes of Health

NBCR

NSF

AMBER

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

Reference41 articles.

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