The SAMPL5 host–guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 16, 2016
Source ID
10.1007/s10822-016-9970-8

Entities

People

  • David R. Slochower
  • Jian Yin
  • Michael K Gilson
  • Niel M. Henriksen

Organizations

  • Air Force Office of Scientific Research
  • National Institutes of Health