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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
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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
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2022,
Volume 99,
Issue 1,
Pages 83-91
收錄情况:
WOS
SCOPUS
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,
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Zhang, PY, Jia, LP, Tian, YF, Xi, LL, Duan, RZ, Chen, XM, Xiao, JX, Yao, XJ, Lan, JF, Li, SY
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2020,
Volume 95,
Issue 5,
Pages 476-484
收錄情况:
WOS
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
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Zhang, Yan, Tian, Jiaqi, Liu, Huanxiang, Ning, Lulu, Yao, Xiaojun, Guo, Jingjing
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Chemical Biology and Drug Design[1747-0277],
Published 2019,
Volume 93,
Issue 4,
Pages 628-637
收錄情况:
WOS
SCOPUS
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,
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Niu, Yuzhen, Zhang, Yan, Yao, Xiaojun
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Chemical Biology and Drug Design[1747-0277],
Published 2019,
Volume 93,
Issue 2,
Pages 177-187
收錄情况:
WOS
SCOPUS
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
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Liu, XW, Zhou, SY, Shi, DF, Bai, QF, Liu, HX, Yao, XJ
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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
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Bai, QF, Perez-Sanchez, H, Shi, ZY, Li, LL, Shi, DF, Liu, HX, Yao, XJ
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2018,
Volume 92,
Issue 1,
Pages 1221-1231
收錄情况:
WOS
SCOPUS
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
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Zhang, Y, Guo, JJ, Huang, L, Tian, JQ, Yao, XJ, Liu, HX
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2018,
Volume 92,
Issue 1,
Pages 1357-1365
收錄情况:
WOS
SCOPUS
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
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Li, RunZe, Fan, XingXing, Zhu, GuoYuan, Wang, YuWei, Luo, LianXiang, Pan, HuDan, Yao, XiaoJun, Leung, Elaine LaiHan, Liu, Liang, Shi, DanFeng
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Chemical Biology and Drug Design[1747-0277],
Published 2018,
Volume 92,
Issue 5,
Pages 1851-1858
收錄情况:
WOS
SCOPUS
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,
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Zhou, SY, Wang, QQ, Ren, MD, Zhang, A, Liu, HX, Yao, XJ
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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
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Zhang, Y, Niu, YZ, Tian, JQ, Liu, XW, Yao, XJ, Liu, HX
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2017,
Volume 90,
Issue 6,
Pages 1237-1246
收錄情况:
WOS
SCOPUS
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
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Guo, JJ, Wang, XT, Sun, HJ, Liu, HX, Shen, YL, Yao, XJ
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2012,
Volume 79,
Issue 6,
Pages 1025-1032
收錄情况:
WOS
SCOPUS
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,
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Du, JA, Xi, LL, Lei, BL, Liu, HX, Yao, XJ
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2011,
Volume 77,
Issue 4,
Pages 248-254
收錄情况:
WOS
SCOPUS
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,
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Qin, J, Xi, LL, Du, JA, Liu, HX, Yao, XJ
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CHEMICAL BIOLOGY & DRUG DESIGN[1747-0277],
Published 2010,
Volume 76,
Issue 6,
Pages 527-537
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 3
2022影響因子:
3.0
发表年影響因子:
2.527