Efficient treatment of solvation shells in 3D molecular theory of solvation.

Sergey Gusarov Bhalchandra S. Pujari Andriy Kovalenko

Published in: J. Comput. Chem. (2012)

Keyphrases

three dimensional
multiscale
information theory
real time
databases
machine learning
video sequences
medical images
cost effective
theoretical foundation