1.Pyronaridine induces apoptosis in non-small cell lung cancer cells by upregulating death receptor 5 expression and inhibiting epidermal growth factor receptor

Zhong, ZH, Yi, ZL, Z     More...

Zhong, ZH, Yi, ZL, Zhao, YD, Wang, J, Jiang, ZB, Xu, C, Xie, YJ, He, QD, Tong, ZY, Yao, XJ, Leung, ELH, Coghi, PS, Fan, XX, Chen, M     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2022, Volume 99, Issue 1, Pages 83-91

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WOS核心合集引用: 6  2022影響因子:  3.0  发表年影響因子:  3.0 

2.Discovery of potential Toxoplasma gondii CDPK1 inhibitors with new scaffolds based on the combination of QSAR and scaffold-hopping method with in vitro validation

Zhang, PY, Jia, LP,     More...

Zhang, PY, Jia, LP, Tian, YF, Xi, LL, Duan, RZ, Chen, XM, Xiao, JX, Yao, XJ, Lan, JF, Li, SY     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2020, Volume 95, Issue 5, Pages 476-484

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WOS核心合集引用: 2  2022影響因子:  3.0  发表年影響因子:  2.817 

3.The molecular mechanism of pH-regulating C3d-CR2 interactions: Insights from molecular dynamics simulation

Zhang, Yan, Tian, Ji     More...

Zhang, Yan, Tian, Jiaqi, Liu, Huanxiang, Ning, Lulu, Yao, Xiaojun, Guo, Jingjing     Less

Chemical Biology and Drug Design[1747-0277], Published 2019, Volume 93, Issue 4, Pages 628-637

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2022影響因子:  3.0  发表年影響因子:  2.548 

4.Resistance mechanism of the oncogenic β3-αC deletion mutation in BRAF kinase to dabrafenib and vemurafenib revealed by molecular dynamics simulations and binding free energy calculations

Niu, Yuzhen, Zhang,     More...

Niu, Yuzhen, Zhang, Yan, Yao, Xiaojun     Less

Chemical Biology and Drug Design[1747-0277], Published 2019, Volume 93, Issue 2, Pages 177-187

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WOS核心合集引用: 3  2022影響因子:  3.0  发表年影響因子:  2.548 

5.Influence of EGCG on alpha-synuclein (alpha S) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation

Liu, XW, Zhou, SY, S     More...

Liu, XW, Zhou, SY, Shi, DF, Bai, QF, Liu, HX, Yao, XJ     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2018, Volume 91, Issue 1, Pages 162-171

收錄情况： WOS SCOPUS

WOS核心合集引用: 23  2022影響因子:  3.0  发表年影響因子:  2.256 

6.Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations

Bai, QF, Perez-Sanch     More...

Bai, QF, Perez-Sanchez, H, Shi, ZY, Li, LL, Shi, DF, Liu, HX, Yao, XJ     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2018, Volume 92, Issue 1, Pages 1221-1231

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WOS核心合集引用: 4  2022影響因子:  3.0  发表年影響因子:  2.256 

7.The molecular mechanism of two coreceptor binding site antibodies X5 and 17b neutralizing HIV-1: Insights from molecular dynamics simulation

Zhang, Y, Guo, JJ, H     More...

Zhang, Y, Guo, JJ, Huang, L, Tian, JQ, Yao, XJ, Liu, HX     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2018, Volume 92, Issue 1, Pages 1357-1365

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WOS核心合集引用: 2  2022影響因子:  3.0  发表年影響因子:  2.256 

8.Identification of a new pyruvate kinase M2 isoform (PKM2) activator for the treatment of non-small-cell lung cancer (NSCLC)

Li, RunZe, Fan, Xing     More...

Li, RunZe, Fan, XingXing, Zhu, GuoYuan, Wang, YuWei, Luo, LianXiang, Pan, HuDan, Yao, XiaoJun, Leung, Elaine LaiHan, Liu, Liang, Shi, DanFeng     Less

Chemical Biology and Drug Design[1747-0277], Published 2018, Volume 92, Issue 5, Pages 1851-1858

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WOS核心合集引用: 17  2022影響因子:  3.0  发表年影響因子:  2.256 

9.Molecular dynamics simulation on the inhibition mechanism of peptide-based inhibitor of islet amyloid polypeptide (IAPP) to islet amyloid polypeptide (IAPP(22-28)) oligomers

Zhou, SY, Wang, QQ,     More...

Zhou, SY, Wang, QQ, Ren, MD, Zhang, A, Liu, HX, Yao, XJ     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2017, Volume 90, Issue 1, Pages 31-39

收錄情况： WOS SCOPUS

WOS核心合集引用: 11  2022影響因子:  3.0  发表年影響因子:  2.328 

10.The glycan-mediated mechanism on the interactions of gp120 with CD4 and antibody: Insights from molecular dynamics simulation

Zhang, Y, Niu, YZ, T     More...

Zhang, Y, Niu, YZ, Tian, JQ, Liu, XW, Yao, XJ, Liu, HX     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2017, Volume 90, Issue 6, Pages 1237-1246

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WOS核心合集引用: 6  2022影響因子:  3.0  发表年影響因子:  2.328 

11.The Evolution of HLA-B*3501 Binding Affinity to Variable Immunodominant NP418-426 Peptides from 1918 to 2009 Pandemic Influenza A Virus: A Molecular Dynamics Simulation and Free Energy Calculation Study

Guo, JJ, Wang, XT, S     More...

Guo, JJ, Wang, XT, Sun, HJ, Liu, HX, Shen, YL, Yao, XJ     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2012, Volume 79, Issue 6, Pages 1025-1032

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WOS核心合集引用: 1  2022影響因子:  3.0  发表年影響因子:  2.469 

12.Structural Requirements of Isoquinolones as Novel Selective c-Jun N-terminal Kinase 1 Inhibitors: 2D and 3D QSAR Analyses

Du, JA, Xi, LL, Lei,     More...

Du, JA, Xi, LL, Lei, BL, Liu, HX, Yao, XJ     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2011, Volume 77, Issue 4, Pages 248-254

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WOS核心合集引用: 5  2022影響因子:  3.0  发表年影響因子:  2.282 

13.QSAR Studies on Aminothiazole Derivatives as Aurora A Kinase Inhibitors

Qin, J, Xi, LL, Du,     More...

Qin, J, Xi, LL, Du, JA, Liu, HX, Yao, XJ     Less

CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277], Published 2010, Volume 76, Issue 6, Pages 527-537

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WOS核心合集引用: 3  2022影響因子:  3.0  发表年影響因子:  2.527