Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method

por Zhou, Yan, Ojeda-May, Pedro, Nagaraju, Mulpuri, Kim, Bryant, Pu, Jingzhi
Publicado 2018

Interligand communication in a metal mediated LL′CT system – a case study

por Dille, Sara A., Colston, Kyle J., Ratvasky, Stephen C., Pu, Jingzhi, Basu, Partha
Publicado 2021

Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations

por Yao, Songyuan, Van, Richard, Pan, Xiaoliang, Park, Ji Hwan, Mao, Yuezhi, Pu, Jingzhi, Mei, Ye, Shao, Yihan
Publicado 2023