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"Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD."
Haochuan Chen et al. (2020)
- Haochuan Chen
, Julio D. C. Maia, Brian K. Radak
, David J. Hardy
, Wensheng Cai
, Christophe Chipot
, Emad Tajkhorshid
:
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. J. Chem. Inf. Model. 60(11): 5301-5307 (2020)
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