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Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method.
Yoshifumi Fukunishi
Makoto Suzuki
Published in:
J. Comput. Chem. (1997)
Keyphrases
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experimental evaluation
high precision
classification method
computational cost
pairwise
cross section
synthetic data
detection method
feature set
dynamic programming
cost function
d objects
support vector machine svm
significant improvement
k means
reconstruction method
data sets