Zhaoxi Sun, Qiao-Le He, Xiao Li, Zhengdan Zhu. SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations. Journal of Computer-Aided Molecular Design, 34(5):589-600, 2020. [doi]
@article{SunHLZ20, title = {SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations}, author = {Zhaoxi Sun and Qiao-Le He and Xiao Li and Zhengdan Zhu}, year = {2020}, doi = {10.1007/s10822-020-00294-1}, url = {https://doi.org/10.1007/s10822-020-00294-1}, researchr = {https://researchr.org/publication/SunHLZ20}, cites = {0}, citedby = {0}, journal = {Journal of Computer-Aided Molecular Design}, volume = {34}, number = {5}, pages = {589-600}, }