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  • 所属院系:物理与材料科学学院
  • 认领成果数 50
  • wos论文数 49
  • wos被引 978
  • wos篇均被引 19.96

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1. Full QM Calculation of RNA Energy Using Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method 代表性成果 EI SCOPUS SCIE PubMed

作者:Jin, XS;Zhang, JZH;He, X

通讯作者:He, Xiao(xiaohe@phy.ecnu.edu.cn)

通讯作者地址:He, X (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; He, X (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.

作者机构:[Jin, Xinsheng; Zhang, John Z. H.; He, Xiao] East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; [Zhang, John Z. H.; He, 更多

来源:JOURNAL OF PHYSICAL CHEMISTRY A,2017,121,12,2503-2514

收录类别:EI;SCOPUS;SCIE;PubMed

WOS被引:3

资源类型:外文期刊论文

2. A systematic study on RNA NMR chemical shift calculation based on the automated fragmentation QM/MM approach 代表性成果 SCOPUS SCIE EI

作者:Jin, XS;Zhu, T;Zhang, JZH;He, X

通讯作者:He, Xiao(xiaohe@phy.ecnu.edu.cn)

通讯作者地址:He, X (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; He, X (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.

作者机构:[Jin, Xinsheng; Zhu, Tong; Zhang, John Z. H.; He, Xiao] East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; [Zhu, Tong; 更多

来源:RSC ADVANCES,2016,6,110,108590-108602

收录类别:SCOPUS;SCIE;EI

当年影响因子:3.108

Scopus被引:2

资源类型:外文期刊论文

7. Binding mode of chitin and TLR2 via molecular docking and dynamics simulation 代表性成果 SCOPUS SCIE EI

作者:Shen, PC;Li, WW;Wang, Y;He, X;He, LQ

通讯作者:He, Liqun(liqun.he1952@sohu.com)

通讯作者地址:He, LQ (reprint author), Shanghai Univ Tradit Chinese Med, Shuguang Hosp, Dept Nephrol, Shanghai, Peoples R China.

作者机构:[Shen, Peicheng; Li, Wenwen; He, Liqun] Shanghai Univ Tradit Chinese Med, Shuguang Hosp, Dept Nephrol, Shanghai, Peoples R China.; [Wang, Ying; He, 更多

来源:MOLECULAR SIMULATION,2016,42,11,936-941

收录类别:SCOPUS;SCIE;EI

当年影响因子:1.254

Scopus被引:1

资源类型:外文期刊论文

9. Accurate Calculation of Electric Fields Inside Enzymes 代表性成果 SCIE PubMed

作者:Wang, X;He, X;Zhang, JZH

通讯作者地址:He, X; Zhang, JZH (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai, Peoples R China.; He, X; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai, Peoples R China.; Zhang, JZH (reprint author), NYU, 550 1St Ave, New York, NY 10003 USA.

作者机构:[Wang, X.] Zhejiang Univ Technol, Coll Sci, Ctr Opt & Optoelect Res, Hangzhou, Zhejiang, Peoples R China.; [Wang, X.; He, X.; Zhang, J. Z. H.] East 更多

来源:COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT B,2016,578

收录类别:SCIE;PubMed

资源类型:外文期刊论文

10. PBSA\_E: A PBSA-Based Free Energy Estimator for Protein-Ligand Binding Affinity 代表性成果 SCOPUS SCIE PubMed EI

作者:Liu, X;Liu, JF;Zhu, T;Zhang, LJ;He, X;Zhang, JZH

通讯作者:He, Xiao(xiaohe@phy.ecnu.edu.cn)

通讯作者地址:He, X; Zhang, JZH (reprint author), E China Normal Univ, Coll Chem & Mol Engn, Dept Phys, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; He, X; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU, Dept Chem, New York, NY 10003 USA.; Zhang, JZH (reprint author), Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Shanxi, Peoples R China.

作者机构:[Liu, Xiao; Liu, Jinfeng; Zhu, Tong; He, Xiao; Zhang, John Z. H.] E China Normal Univ, Coll Chem & Mol Engn, Dept Phys, State Key Lab Precis Spect, Sh 更多

来源:JOURNAL OF CHEMICAL INFORMATION AND MODELING,2016,56,5,854-861

收录类别:SCOPUS;SCIE;PubMed;EI

当年影响因子:3.76

Scopus被引:2

资源类型:外文期刊论文

11. MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids 代表性成果 SCOPUS SCIE PubMed

作者:Yu, HS;He, X;Truhlar, DG

通讯作者地址:Truhlar, DG (reprint author), Univ Minnesota, Inorganometall Catalyst Design Ctr, Chem Theory Ctr, Dept Chem, Minneapolis, MN 55455 USA.; Truhlar, DG (reprint author), Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA.

作者机构:[Yu, Haoyu S.; He, Xiao; Truhlar, Donald G.] Univ Minnesota, Inorganometall Catalyst Design Ctr, Chem Theory Ctr, Dept Chem, Minneapolis, MN 55455 USA 更多

来源:JOURNAL OF CHEMICAL THEORY AND COMPUTATION,2016,12,3

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:5.245

WOS被引:42

Scopus被引:54

资源类型:外文期刊论文

12. Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins 代表性成果 SCOPUS SCIE PubMed

作者:Liu, JF;Zhang, JZH;He, X

通讯作者地址:He, X (reprint author), E China Normal Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Sci, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; He, X (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.

作者机构:[Liu, Jinfeng; Zhang, John Z. H.; He, Xiao] E China Normal Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Sci, State Key Lab Precis Spect, Shangh 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18,3

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:4.123

WOS被引:12

Scopus被引:14

资源类型:外文期刊论文

19. Ab Initio Molecular Crystal Structures, Spectra, and Phase Diagrams 代表性成果 SCOPUS SCIE

作者:Hirata, S; Gilliard, K; He, X; Li, JJ; Sode, O

通讯作者地址:Hirata, S (reprint author), Univ Illinois, Dept Chem, 600 South Mathews Ave, Urbana, IL 61801 USA.

作者机构:[Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni] Univ Illinois, Dept Chem, Urbana, IL 61801 USA.

来源:ACCOUNTS OF CHEMICAL RESEARCH,2014,47,9,2721-2730

收录类别:SCOPUS;SCIE

当年影响因子:20.268

WOS被引:16

Scopus被引:26

资源类型:外文期刊论文

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