Who We Are
The challenge of understanding biological systems at the molecular and systems level as well as the integration of computational and experimental approaches for bridging basic and clinical cancer research is what motivates our research group. Our research efforts are in the areas of Protein Biophysics, Computational Cancer Biology, Translational Bioinformatics, Computational Medicine and Drug Discovery. We focus on the development and application of computational biology approaches for (a) system-based analysis of evolutionary, genetic, and molecular signatures of human disease; (b) design and discovery of targeted and personalized cancer therapeutics; (c) integration of computational biology and chemical biology approaches in translational cancer research.
Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins. [Pubmed]
Design, synthesis and evaluation of dasatinib-derived protein-tyrosine kinase inhibitors.
Computational modeling of Hsp90 molecular chaperone structure, dynamics and function: a synergistic perspective from biophysical simulations and systems biology analysis.
Capturing Differential Sensitivity of Protein Kinases to Drug Binding and Mutations via Modeling of the Residue Interaction Networks and Allosteric Communication Pathways.
Molecular Dynamics Simulations and Structural Network Analysis of c-Abl and c-Src Kinase Core Proteins: Capturing Allosteric Mechanisms and Communication Pathways from Residue Centrality.