排序方式:
1.Long-Timescale Simulations Revealed Critical Non-Conserved Residues of Phosphodiesterases Affecting Selectivity of BAY60-7550
Liu, Q, Song, MH, Qi
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Liu, Q, Song, MH, Qiu, Y, Leung, ELH, Huang, Q, Yao, XJ
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COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370],
Published 2022,
Volume 20,
Pages 5136-5149
收錄情况:
WOS
2022影響因子:
6.0
发表年影響因子:
6.0
2.Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations
An, XL, Bai, QF, Bin
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An, XL, Bai, QF, Bing, ZT, Liu, HX, Yao, XJ
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COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370],
Published 2021,
Volume 19,
Pages 3978-3989
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 15
2022影響因子:
6.0
发表年影響因子:
6.155
3.Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography
Han, JT, Zhu, YC, Pa
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Han, JT, Zhu, YC, Pan, DB, Xue, HX, Wang, S, Peng, YL, Liu, HX, He, YX, Yao, XJ
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COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370],
Published 2021,
Volume 19,
Pages 4079-4091
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 1
2022影響因子:
6.0
发表年影響因子:
6.155
4.In silico study of intrinsic dynamics of full-length apo-ACE2 and RBD-ACE2 complex
Liu, Q, Wang, YW, Le
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Liu, Q, Wang, YW, Leung, ELH, Yao, XJ
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COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370],
Published 2021,
Volume 19,
Pages 5455-5465
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 9
2022影響因子:
6.0
发表年影響因子:
6.155
5.WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm
Bai, QF, Ma, J, Liu,
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Bai, QF, Ma, J, Liu, S, Xu, TY, Banegas-Luna, AJ, Perez-Sanchez, H, Tian, YN, Huang, JZ, Liu, HX, Yao, XJ
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COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370],
Published 2021,
Volume 19,
Pages 3573-3579
收錄情况:
WOS
SCOPUS
WOS核心合集引用: 12
2022影響因子:
6.0
发表年影響因子:
6.155