Junichi Higo, Bhaskar DasGupta, Tadaaki Mashimo, Kota Kasahara, Yoshifumi Fukunishi, Haruki Nakamura. Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking. Journal of Computational Chemistry, 36(20):1489-1501, 2015. [doi]
@article{HigoDMKFN15,
title = {Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking},
author = {Junichi Higo and Bhaskar DasGupta and Tadaaki Mashimo and Kota Kasahara and Yoshifumi Fukunishi and Haruki Nakamura},
year = {2015},
doi = {10.1002/jcc.23948},
url = {http://dx.doi.org/10.1002/jcc.23948},
researchr = {https://researchr.org/publication/HigoDMKFN15},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {36},
number = {20},
pages = {1489-1501},
}