Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies
Mikulskis, Paulius, Cioloboc, Daniela, Andrejić, Milica, Khare, Sakshi, Brorsson, Joakim, Genheden, Samuel, Mata, Ricardo A., Söderhjelm, Pär, Ryde, UlfVolume:
28
Language:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-014-9739-x
Date:
April, 2014
File:
PDF, 3.75 MB
english, 2014