Anastasia Saar, Mohammad Mehdi Ghahremanpour, Julian Tirado-Rives, William L. Jorgensen. Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors. Journal of Chemical Information and Computer Sciences, 63(22):7210-7218, November 2023. [doi]
@article{SaarGTJ23,
title = {Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors},
author = {Anastasia Saar and Mohammad Mehdi Ghahremanpour and Julian Tirado-Rives and William L. Jorgensen},
year = {2023},
month = {November},
doi = {10.1021/acs.jcim.3c01453},
url = {https://doi.org/10.1021/acs.jcim.3c01453},
researchr = {https://researchr.org/publication/SaarGTJ23},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {63},
number = {22},
pages = {7210-7218},
}