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Publications by Apoorva Badaya

Inhibition of the Activity of HIV-1 Protease Through Antibody Binding and Mutations Probed by Molecular Dynamics Simulations

Scientific Reports

Multidisciplinary

English

Related publications

Binding Kinetics and Substrate Selectivity in HIV-1 Protease−Gag Interactions Probed at Atomic Resolution by Chemical Exchange NMR

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Interaction of HIV-1 Aspartic Protease With Its Inhibitor, by Molecular Dynamics Andab Initiofragment Molecular Orbital Method

Journal of Synchrotron Radiation

High Energy Physics

Instrumentation

English

Troponin Structure and Effects of Phosphorylation and Mutations Studied by Molecular Dynamics Simulations

Biophysical Journal

English

Accelerated Molecular Dynamics Simulations of Phosphate Binding Proteins

Biophysical Journal

English

HIV-1 Protease Dimerization Dynamics Reveals a Transient Druggable Binding Pocket at the Interface

Scientific Reports

Multidisciplinary

English

Multidrug Binding Properties of the AcrB Efflux Pump Characterized by Molecular Dynamics Simulations

Biophysical Journal

English

Complete Reconstruction of an Enzyme-Inhibitor Binding Process by Molecular Dynamics Simulations

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Peptide-Protein Binding Investigated by Far-Ir Spectroscopy and Molecular Dynamics Simulations

Biophysical Journal

English

Molecular Modeling Study on the Allosteric Inhibition Mechanism of HIV-1 Integrase by LEDGF/p75 Binding Site Inhibitors

Multidisciplinary

English