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Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.
Matthew Harger
Daniel Li
Zhi Wang
Kevin N. Dalby
Louis Lagardère
Jean-Philip Piquemal
Jay W. Ponder
Pengyu Y. Ren
Published in:
J. Comput. Chem. (2017)
Keyphrases
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higher order
graph cuts
median filtering
general purpose
databases
denoising
energy minimization
graphics hardware
machine learning
search engine
information systems
similarity measure
multiresolution
energy function
parallel programming