Yuan Hu, Brad Sherborne, Tai-Sung Lee, David A. Case, Darrin M. York, Zhuyan Guo. The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP. Journal of Computer-Aided Molecular Design, 30(7):533-539, 2016. [doi]
@article{HuSLCYG16,
title = {The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP},
author = {Yuan Hu and Brad Sherborne and Tai-Sung Lee and David A. Case and Darrin M. York and Zhuyan Guo},
year = {2016},
doi = {10.1007/s10822-016-9920-5},
url = {http://dx.doi.org/10.1007/s10822-016-9920-5},
researchr = {https://researchr.org/publication/HuSLCYG16},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {30},
number = {7},
pages = {533-539},
}