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Physical Chemistry Chemical Physics : PCCP|June 20, 2017
A theoretical study on the morphological phase diagram of supported lipid bilayersXian Kong, Diannan Lu, Jianzhong Wu, et al.ACS Omega|May 12, 2020
Global and Kinetic Profiles of Substrate Diffusion in Candida antarctica Lipase B: Molecular Dynamics with the Markov-State ModelChenlin Lu, Xue Peng, Diannan Lu, et al.RSC Advances|May 6, 2022
How pressure affects confine water inside different nanoslitsQingyin Zhang, Xin Wang, Jipeng Li, et al.Journal of Chemical Information and Modeling|February 14, 2023
Using High-Throughput Molecular Dynamics Simulation to Enhance the Computational Design of Kemp Elimination EnzymesPengyu Wang, Jun Zhang, Shengyu Zhang, et al.Physical Chemistry Chemical Physics : PCCP|April 18, 2020
A hybrid theoretical method for predicting electrokinetic energy conversion in nanochannelsXiaoyu Hu, Yiling Nan, Xian Kong, et al.Physical Chemistry Chemical Physics : PCCP|September 29, 2021
A distal regulatory strategy of enzymes: from local to global conformational dynamicsXue Peng, Chenlin Lu, Jian Pang, et al.The Journal of Chemical Physics|April 26, 2005
Molecular simulation of surfactant-assisted protein refoldingDiannan Lu, Zheng Liu, Zhixia Liu, et al.Physical Chemistry Chemical Physics : PCCP|March 27, 2015
How ABA block polymers activate cytochrome c in toluene: molecular dynamics simulation and experimental observationGong Chen, Xian Kong, Jingying Zhu, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|July 2, 2016
Predicting hydration free energies of amphetamine-type stimulants with a customized molecular modelJipeng Li, Jia Fu, Xing Huang, et al.The Journal of Chemical Physics|January 22, 2018
Markov-state model for CO2 binding with carbonic anhydrase under confinementGong Chen, Weina Xu, Diannan Lu, et al.Pageof 9