论文部分内容阅读
DOX:a new computational protocol for accurately predicting of the protein-ligand binding geometric p
【机 构】
:
College of Chemistry,Central China Normal University,Wuhan 430079,P R China
【出 处】
:
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
:
2015年期
其他文献
Ab Initio MD for the conformational dynamics of polypeptides with the Generalized Energy-Based Fragm
会议
Exploring the conformational and functional changes of α-chymotrypsin immobilized on carbon nanotube
会议
The proton transfer reaction catalyzed by the dihydrofolate reductase(DHFR)is reexamined in this work.Empirical valence bond(EVB)simulations are first perfo
会议