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
• Educational Protein Modeling for Undergraduates
• Metalloproteins and Implications of Metal ions in Biological Systems
  
• Structural Immunology (computational) and Immunoinformatics
            o Structural Biology of SARS-CoV-2: original strain, variants and subvariants
            o Virus Structure
            o Host-Virus Interactions
            o Immunomodulatory and Proinflammatory Cytokines:
              Implications in Cellular Signalling Processes

Structure based Computational Immunology and Immunoinformatics

A	B

C

A. Ribbon diagram of WT SARS-CoV-2 RBD bound ACE receptor in 6M0J.PDB.
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).

A

B