High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD
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- Wei Jiang
- Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439, United States
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- David J. Hardy
- Beckman Institute, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
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- James C. Phillips
- Beckman Institute, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
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- Alexander D. MacKerell
- Department of Pharmaceutical Sciencies, School of Pharmacy, University of Maryland, Baltimore Maryland 21201, United States
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- Klaus Schulten
- Beckman Institute, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
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- Benoît Roux
- Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States
収録刊行物
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- The Journal of Physical Chemistry Letters
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The Journal of Physical Chemistry Letters 2 (2), 87-92, 2010-12-23
American Chemical Society (ACS)