Interchain hydrophobic clustering promotes rigidity in HIV-1 protease flap dynamics: new insights from Molecular Dynamics

Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir

(2012) Parimal Kar et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Interaction of I50V Mutant and I50L/A71V Double Mutant HIV-Protease with Inhibitor TMC114 (Darunavir): Molecular Dynamics Simulation and Binding Free Energy Studies

(2012) Biswa Ranjan Meher et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydrophobic Core Flexibility Modulates Enzyme Activity in HIV-1 Protease

(2012) Seema Mittal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CONFORMATIONAL DYNAMICS OF HIV-1 PROTEASE: A COMPARATIVE MOLECULAR DYNAMICS SIMULATION STUDY WITH MULTIPLE AMBER FORCE FIELDS

(2012) BISWA RANJAN MEHER et al.   Journal of Bioinformatics and Computational Biology

Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations

(2010) Rosemberg O. Soares et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Effects of the V82A and I54V mutations on the dynamics and ligand binding properties of HIV-1 protease

(2010) Pia Dirauf et al.   JOURNAL OF MOLECULAR MODELING

Molecular Basis for Drug Resistance in HIV-1 Protease

(2010) Akbar Ali et al.   Viruses-Basel

Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations

(2009) Guo-Dong Hu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Insights into drug resistance of mutations D30N and I50V to HIV-1 protease inhibitor TMC-114: Free energy calculation and molecular dynamic simulation

(2009) Jianzhong Chen et al.   JOURNAL OF MOLECULAR MODELING

Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations

(2002) Stefano Piana et al.   PROTEIN SCIENCE