Blind prediction of host-guest binding affinities: a new SAMPL3 challenge

Hari S. Muddana, C. Daniel Varnado, Christopher W. Bielawski, Adam R. Urbach, Lyle Isaacs, Matthew T. Geballe, Michael K. Gilson. Blind prediction of host-guest binding affinities: a new SAMPL3 challenge. Journal of Computer-Aided Molecular Design, 26(5):475-487, 2012. [doi]

Abstract

Abstract is missing.