Weiwei Xue

State Key Laboratory Of Applied Organic Chemistry
Lanzhou, 730000, China

Last Updated: 09/26/2026

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Found 12 publications

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

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

Journal: Biochimica et biophysica acta

Published: June 16, 2015

Interaction of erucic acid with bovine serum albumin using a multi-spectroscopic method and molecular docking technique.

Interaction of erucic acid with bovine serum albumin using a multi-spectroscopic method and molecular docking technique.

Journal: Food chemistry

Published: June 23, 2014

Understanding the drug resistance mechanism of hepatitis C virus NS5B to PF-00868554 due to mutations of the 423 site: a computational study.

Understanding the drug resistance mechanism of hepatitis C virus NS5B to PF-00868554 due to mutations of the 423 site: a computational study.

Journal: Molecular bioSystems

Published: January 24, 2014

Computational study on the inhibitor binding mode and allosteric regulation mechanism in hepatitis C virus NS3/4A protein.

Computational study on the inhibitor binding mode and allosteric regulation mechanism in hepatitis C virus NS3/4A protein.

Journal: PloS one

Published: November 01, 2013

Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598.

Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598.

Journal: Antiviral research

Published: October 12, 2013

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.

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.

Journal: Journal of chemical information and modeling

Published: June 11, 2013

Molecular modeling study on the allosteric inhibition mechanism of HIV-1 integrase by LEDGF/p75 binding site inhibitors.

Molecular modeling study on the allosteric inhibition mechanism of HIV-1 integrase by LEDGF/p75 binding site inhibitors.

Journal: PloS one

Published: May 29, 2013

Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis.

Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis.

Journal: Journal of chemical information and modeling

Published: December 13, 2012

Understanding the structural and energetic basis of inhibitor and substrate bound to the full-length NS3/4A: insights from molecular dynamics simulation, binding free energy calculation and network analysis.

Understanding the structural and energetic basis of inhibitor and substrate bound to the full-length NS3/4A: insights from molecular dynamics simulation, binding free energy calculation and network analysis.

Journal: Molecular bioSystems

Published: July 27, 2012

Understanding the effect of drug-resistant mutations of HIV-1 intasome on raltegravir action through molecular modeling study.

Understanding the effect of drug-resistant mutations of HIV-1 intasome on raltegravir action through molecular modeling study.

Journal: Molecular bioSystems

Published: June 01, 2012

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

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

Journal: Biochimica et biophysica acta

Published: December 11, 2011

Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435.

Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435.

Journal: Antiviral research

Published: October 13, 2011

Showing 1-12 of 12

Last Updated: 09/26/2026