Model Heat Shock 90 Protein













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Protein Modeling and Protein Chemistry
Protein Dynamics and Protein Simulations

Research Interests

My current research interest is in the field of Structural Biology, and I am particularly interested in Protein Chemistry and Protein Modeling. My research focuses mostly on the molecular interactions between ligands and receptors, and I am interested in exploring their applications for innovative drug discovery. The specific aspects of my ongoing research are:

  • Modeling of Receptor Proteins
  • Protein-Peptide/Protein-Protein Docking
  • Identification of Ligand-Receptor Interactions at the Interface
  • Solvation Effect (Explicit Solvation and Molecular Dynamics Simulation)
  • Protein-Protein Interaction (PPI): Identification of Potential Receptor Protein using PPI Network
  • Structural Immunology (computational) and Immunoinformatics
  • Educational Protein Modeling for Undergraduates

Current Research Projects

Structure based Computational Immunology and Immunoinformatics



A. Ribbon diagram of Fas-FADD pair complex. Interfacial residues are displayed in ball and stick mode.
B. Hydrophobic surface of Ile313, a critical residue in Fas chain.
C. Molecular Dynamics simulation of solvated Fas-FADD pair complex (water molecules are not displayed).

Estrogen Receptor with backbone and sidechain

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