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SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.
Tyler Luchko
Nikolay Blinov
Garrett C. Limon
Kevin P. Joyce
Andriy Kovalenko
Published in:
J. Comput. Aided Mol. Des. (2016)
Keyphrases
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random sampling
sample size
sampling methods
parameter space
real time
neural network
information retrieval
information systems
decision trees
bayesian networks
multiscale
monte carlo
markov chain monte carlo
sampling strategies