Eva Stjernschantz, John Marelius, Carmen Medina, Micael Jacobsson, Nico P. E. Vermeulen, Chris Oostenbrink. Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method. Journal of Chemical Information and Computer Sciences, 46(5):1972-1983, 2006. [doi]
@article{StjernschantzMMJVO06,
title = {Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method},
author = {Eva Stjernschantz and John Marelius and Carmen Medina and Micael Jacobsson and Nico P. E. Vermeulen and Chris Oostenbrink},
year = {2006},
doi = {10.1021/ci0601214},
url = {http://dx.doi.org/10.1021/ci0601214},
researchr = {https://researchr.org/publication/StjernschantzMMJVO06},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {46},
number = {5},
pages = {1972-1983},
}