Jacqueline C. Hargis, Justin K. White, Yu Chen, H. Lee Woodcock III. Can Molecular Dynamics and QM/MM Solve the Penicillin Binding Protein Protonation Puzzle?. Journal of Chemical Information and Computer Sciences, 54(5):1412-1424, 2014. [doi]
@article{HargisWCW14,
title = {Can Molecular Dynamics and QM/MM Solve the Penicillin Binding Protein Protonation Puzzle?},
author = {Jacqueline C. Hargis and Justin K. White and Yu Chen and H. Lee Woodcock III},
year = {2014},
doi = {10.1021/ci5000517},
url = {http://dx.doi.org/10.1021/ci5000517},
researchr = {https://researchr.org/publication/HargisWCW14},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {54},
number = {5},
pages = {1412-1424},
}