排序方式:
1.Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation
Yang, YW, Wu, ZX, Ya
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Yang, YW, Wu, ZX, Yao, XJ, Kang, Y, Hou, TJ, Hsieh, CY, Liu, HX
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2022,
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 5
2022影響因子:
5.6
发表年影響因子:
5.6
2.Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs?
An, XL, Lu, SY, Song
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An, XL, Lu, SY, Song, K, Shen, QC, Huang, ML, Yao, XJ, Liu, HX, Zhang, J
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2019,
Volume 59,
Issue 1,
Pages 597-604
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 17
2022影響因子:
5.6
发表年影響因子:
4.549
3.Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations
Zhou, Shuangyan, Zhu
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Zhou, Shuangyan, Zhu, Yongchang, Liu, Huanxiang, Yao, Xiaojun
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Journal of Chemical Information and Modeling[1549-9596],
Published 2019,
Volume 59,
Issue 5,
Pages 1909-1918
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 15
2022影響因子:
5.6
发表年影響因子:
4.549
4.In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease
Li, SY, Li, JZ, Ning
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Li, SY, Li, JZ, Ning, LL, Wang, SP, Niu, YZ, Jin, NZ, Yao, XJ, Liu, HX, Xi, LL
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2015,
Volume 55,
Issue 9,
Pages 2015-2025
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 36
2022影響因子:
5.6
发表年影響因子:
3.657
5.Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis
Xue, WW, Ban, YH, Li
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Xue, WW, Ban, YH, Liu, HX, Yao, XJ
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2014,
Volume 54,
Issue 2,
Pages 621-633
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 55
2022影響因子:
5.6
发表年影響因子:
3.738
6.Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis
Xue, WW, Jin, XJ, Ni
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Xue, WW, Jin, XJ, Ning, LL, Wang, MX, Liu, HX, Yao, XJ
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2013,
Volume 53,
Issue 1,
Pages 210-222
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 60
2022影響因子:
5.6
发表年影響因子:
4.068
7.Molecular Dynamics Simulation, Free Energy Calcuiation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors
Yang, Y, Qin, J, Liu
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Yang, Y, Qin, J, Liu, HX, Yao, XJ
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2011,
Volume 51,
Issue 3,
Pages 680-692
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 75
2022影響因子:
5.6
发表年影響因子:
4.675
8.Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38 alpha MAP Kinase
Yang, Y, Shen, YL, L
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Yang, Y, Shen, YL, Liu, HX, Yao, XJ
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2011,
Volume 51,
Issue 12,
Pages 3235-3246
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 66
2022影響因子:
5.6
发表年影響因子:
4.675
9.Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set
Sushko, I, Novotarsk
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Sushko, I, Novotarskyi, S, Korner, R, Pandey, AK, Cherkasov, A, Lo, JZ, Gramatica, P, Hansen, K, Schroeter, T, Muller, KR, Xi, LL, Liu, HX, Yao, XJ, Oberg, T, Hormozdiari, F, Dao, PH, Sahinalp, C, Todeschini, R, Polishchuk, P, Artemenko, A, Kuz'min, V, Martin, TM, Young, DM, Fourches, D, Muratov, E, Tropsha, A, Baskin, I, Horvath, D, Marcou, G, Muller, C, Varnek, A, Prokopenko, VV, Tetko, IV
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2010,
Volume 50,
Issue 12,
Pages 2094-2111
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 195
2022影響因子:
5.6
发表年影響因子:
3.822
10.Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores
Tetko, IV, Solov'ev,
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Tetko, IV, Solov'ev, VP, Antonov, AV, Yao, XJ, Doucet, JP, Fan, BT, Hoonakker, F, Fourches, D, Jost, P, Lachiche, N, Varnek, A
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JOURNAL OF CHEMICAL INFORMATION AND MODELING[1549-9596],
Published 2006,
Volume 46,
Issue 2,
Pages 808-819
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 57
2022影響因子:
5.6
发表年影響因子:
3.423