Vincent Zoete, Olivier Michielin, Martin Karplus. Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors. Journal of Computer-Aided Molecular Design, 17(12):861-880, 2003.
@article{ZoeteMK03,
title = {Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors},
author = {Vincent Zoete and Olivier Michielin and Martin Karplus},
year = {2003},
researchr = {https://researchr.org/publication/ZoeteMK03},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {17},
number = {12},
pages = {861-880},
}