Login / Signup

Predicting binding affinities of host-guest systems in the SAMPL3 blind challenge: the performance of relative free energy calculations.

Gerhard KönigBernard R. Brooks
Published in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
  • free energy
  • pairwise
  • similarity measure
  • upper bound
  • markov random field