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"GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: ..."
Tai-Sung Lee et al. (2018)
- Tai-Sung Lee
, David S. Cerutti, Dan Mermelstein, Charles Lin
, Scott LeGrand, Timothy J. Giese, Adrian E. Roitberg
, David A. Case
, Ross C. Walker, Darrin M. York
:
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features. J. Chem. Inf. Model. 58(10): 2043-2050 (2018)
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