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[会议论文] 作者：Shijun Zhong,
来源：第五届全国生物信息学与系统生物学学术大会 年份：2012
Background: Protein-ligand interaction plays a key role in controlling biological processes.Thus the computation of protein-ligand binding energy is a cruci...
[会议论文] 作者：Lu Sun,Shijun Zhong,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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How the atom charges affect intermolecular interaction:the detailed analysis of pairwise interaction
[会议论文] 作者：Yong Mao,Shijun Zhong,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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[会议论文] 作者：Lu Sun,Shijun Zhong,
来源：2019中国化学会第十五届全国计算(机)化学学术会议 年份：2019
Protein-peptide interactions are crucial for various important cellular regulations [1].Among the experimentally solved protein structures,i.e.the Protein Data Bank(PDB,www.rcsb.org),the protein-pepti...
[会议论文] 作者：Dan Zhao,Shijun Zhong,
来源：2019中国化学会第十五届全国计算(机)化学学术会议 年份：2019
Protein tyrosine phosphatase 1B(PTP1B) is considered as a negative regulator of insulin signaling and an important target for the treatment of type Ⅱ diabetes and obesity.Inhibition of PTP1B can enhan...
How the atom charges affect intermolecular interaction:the detailed analysis of pairwise interaction
[会议论文] 作者：Yong Mao,Shijun Zhong,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The effects of atomic partial charges on intermolecular interaction energy and the equilibration distances were studied for atom pairs of H,C,N,O,P,and S....
[会议论文] 作者：Shijun Zhong,Youping Zhang,Zhilong Xiu,
来源：第一届国际转化医学信息学会议 年份：2012
The ranking of ligand docking poses according to certain scoring systems to identify the best fit is the most important step in virtual database screening for drug discovery.By focusing on method deve...
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