1.Understanding the structural and energetic basis of PD-1 and monoclonal antibodies bound to PD-L1: A molecular modeling perspective

Shi, DF, Zhou, SY, L     More...

Shi, DF, Zhou, SY, Liu, XW, Zhao, CX, Liu, HX, Yao, XJ     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2018, Volume 1862, Issue 3, Pages 576-588

收錄情况： WOS SCOPUS

WOS核心合集引用: 20  2022影響因子:  3.0  发表年影響因子:  3.681 

2.Differentiating physicochemical properties between NDRIs and sNRIs clinically important for the treatment of ADHD

Wang, PP, Fu, TT, Zh     More...

Wang, PP, Fu, TT, Zhang, XY, Yang, FY, Zheng, GX, Xue, WW, Chen, YZ, Yao, XJ, Zhu, F     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2017, Volume 1861, Issue 11, Pages 2766-2777

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WOS核心合集引用: 50  2022影響因子:  3.0  发表年影響因子:  3.679 

3.Insights into conformational regulation of PfMATE transporter from Pyrococcus furiosus induced by alternating protonation state of Asp41 residue: A molecular dynamics simulation study

Jin, XJ, Shao, YH, B     More...

Jin, XJ, Shao, YH, Bai, QF, Xue, WW, Liu, HX, Yao, XJ     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2016, Volume 1860, Issue 6, Pages 1173-1180

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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:  4.702 

4.The solvent at antigen-binding site regulated C3d-CR2 interactions through the C-terminal tail of C3d at different ion strengths: insights from molecular dynamics simulation

Zhang, Y, Guo, JJ, L     More...

Zhang, Y, Guo, JJ, Li, LL, Liu, XW, Yao, XJ, Liu, HX     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2016, Volume 1860, Issue 10, Pages 2220-2231

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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:  4.702 

5.Stabilities and structures of islet amyloid polypeptide (IAPP(22-28)) oligomers: From dimer to 16-mer

Guo, JJ, Zhang, Y, N     More...

Guo, JJ, Zhang, Y, Ning, LL, Jiao, PZ, Liu, HX, Yao, XJ     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2014, Volume 1840, Issue 1, Pages 357-366

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WOS核心合集引用: 22  2022影響因子:  3.0  发表年影響因子:  4.381 

6.Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculation

Bai, QF, Shen, YL, J     More...

Bai, QF, Shen, YL, Jin, NZ, Liu, HX, Yao, XJ     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2014, Volume 1840, Issue 7, Pages 2128-2138

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WOS核心合集引用: 25  2022影響因子:  3.0  发表年影響因子:  4.381 

7.Influence of the pathogenic mutations T188K/R/A on the structural stability and misfolding of human prion protein: Insight from molecular dynamics simulations

Guo, JJ, Ning, LL, R     More...

Guo, JJ, Ning, LL, Ren, H, Liu, HX, Yao, XJ     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2012, Volume 1820, Issue 2, Pages 116-123

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WOS核心合集引用: 31  2022影響因子:  3.0  发表年影響因子:  3.848 

8.Understanding the drug resistance mechanism of hepatitis C virus NS3/4A to ITMN-191 due to R155K, A156V, D168A/E mutations: A computational study

Pan, DB, Xue, WW, Zh     More...

Pan, DB, Xue, WW, Zhang, WQ, Liu, HX, Yao, XJ     Less

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS[0304-4165], Published 2012, Volume 1820, Issue 10, Pages 1526-1534

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WOS核心合集引用: 32  2022影響因子:  3.0  发表年影響因子:  3.848