High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD-Reference-Cited by-同舟云学术

High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD

Author:

Jiang Wei¹,Hardy David J.²,Phillips James C.²,MacKerell Alexander D.³,Schulten Klaus²⁴,Roux Benoît⁵⁶

Affiliation:

1. Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439, United States

2. Beckman Institute, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States

3. Department of Pharmaceutical Sciencies, School of Pharmacy, University of Maryland, Baltimore Maryland 21201, United States

4. Department of Physics, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States

5. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States

6. Biosciences Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

Reference37 articles.

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