Using Constrained Density Functional Theory to Track Proton Transfers and to Sample Their Associated Free Energy Surface

por Li, Chenghan, Voth, Gregory A.
Publicado 2021

Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory

por Li, Chenghan, Voth, Gregory A.
Publicado 2021

Generalized Transition State Theory Treatment of Water-Assisted Proton Transport Processes in Proteins

por Liu, Yu, Li, Chenghan, Voth, Gregory A.
Publicado 2022

Accurate pK(a) Calculations in Proteins with Reactive Molecular Dynamics Provide Physical Insight Into the Electrostatic Origins of Their Values

por Zuchniarz, Joshua, Liu, Yu, Li, Chenghan, Voth, Gregory A.
Publicado 2022

Review of Application and Innovation of Geotextiles in Geotechnical Engineering

por Wu, Hao, Yao, Chongkai, Li, Chenghan, Miao, Miao, Zhong, Yujian, Lu, Yuquan, Liu, Tong
Publicado 2020

Proton movement and coupling in the POT family of peptide transporters

por Parker, Joanne L., Li, Chenghan, Brinth, Allete, Wang, Zhi, Vogeley, Lutz, Solcan, Nicolae, Ledderboge-Vucinic, Gregory, Swanson, Jessica M. J., Caffrey, Martin, Voth, Gregory A., Newstead, Simon
Publicado 2017