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Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA.
Samuel Genheden
Ingemar Nilsson
Ulf Ryde
Published in:
J. Chem. Inf. Model. (2011)
Keyphrases
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pairwise
design considerations
image segmentation
experimental data
virtual machine
image sequences
accurate estimation
database
learning algorithm
information systems
three dimensional
markov random field
estimation error
average error