Area of research
Molecular Biology · Physiology
Research interest
Research interests include Protein Structure and Dynamics, Alzheimer's disease research and treatments, Computational Drug Discovery Methods, and Peptidase Inhibition and Analysis.
Mechanisms of peptide hydrolysis by aspartyl and metalloproteases
Theoretical Insights into the Functioning of Metallopeptidases and Their Synthetic Analogues
An Iron Reservoir to the Catalytic Metal
Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of<b><i>β</i></b>-Secretase
Comparative molecular dynamics simulation studies for determining factors contributing to the thermostability of chemotaxis protein “CheY”
Elucidating the catalytic mechanism of β-secretase (BACE1): A quantum mechanics/molecular mechanics (QM/MM) approach
Hydrocarbons Depending on the Chain Length and Head Group Adopt Different Conformations within a Water-Soluble Nanocapsule:<sup>1</sup>H NMR and Molecular Dynamics Studies
Dimerization of the Full-Length Alzheimer Amyloid β-Peptide (Aβ42) in Explicit Aqueous Solution: A Molecular Dynamics Study
Protonation States of the Catalytic Dyad of β-Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking Study