Estimating relative free energies from a single ensemble: Hydration free energies.

Heiko Schäfer Wilfred F. van Gunsteren Alan E. Mark

Published in: J. Comput. Chem. (1999)

Keyphrases

graph cuts
neural network
higher order
website
markov random field
energy function
information systems
knowledge base
training data
multiresolution
energy minimization