Login / Signup

Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease.

Daniel P. OehmeRobert T. C. BrownleeDavid J. D. Wilson
Published in: J. Comput. Chem. (2012)
Keyphrases
  • hiv protease
  • simulated annealing
  • genetic algorithm
  • decision trees
  • distributed systems
  • graph cuts