He is currently engaged in the Computer Aided Drug Designing (CADD) aspects. He has hands-on experience with many of the computational packages. Few of them are as follows:
GROMACS (GRoningen MAchine for Chemical Simulations) – is a molecular dynamics package mainly designed for simulations of the proteins, lipids, and nucleic acids.
Desmond Schrodinger – is a high-speed molecular dynamics simulation package.
AMBER (Assisted Model Building with Energy Refinement) – is a biomolecules simulation package.
AutoDock– is a molecular docking software, especially for protein-ligand.
I-TASSER (Iterative Threading ASSEmbly Refinement) – is an approach to model protein structure and function prediction.
MODELLER – is a standalone package for homology modeling.
HADDOCK – a software to study the protein-protein interaction and bindings.
MEGA – a computational package to analysis the phylogeny relationship across the species.
RESEARCH INTEREST:
Computational analysis of disease-related Single Nucleotide Polymorphisms (SNPs)
Molecular dynamics simulation studies.
Molecular modeling and docking analysis.
Medical Informatics
Single amino acid substitutions (SAPs)
In-silico drug designing.
Biological database development.
TECHNICAL SKILLS:
Operating Systems – Windows & Linux (Ubuntu, openSUSE)
Molecular Dynamics Simulation – GROMACS, AMBER, Schrodinger Desmond
Molecular Docking – AutoDock, AutoDock Vina, GOLD Suite, Online HADDOCK
Molecular Modeling – Modeller, I-Tasser, Swiss Model
Phylogenetic Analysis – MEGA.
Web biological tools – BLAST, Clustal Omega, SIFT, polyphen, I mutant, SNAP, SNPs&go, FATHMM, Align GVGD, SNP effect, cupsat, iStable, MUpro, PANTHER
Biological Databases – SwissProt, UniProt, NCBI, HGMD, PDB
Visualization tools – PyMOL, Chimera, Schrodinger Maestro, Discovery Studio Visualizer
Editors – Microsoft Office, LATEX, Adobe PhotoShop, Smart Draw, Visio
Website designing software – WebPlus, ASP Maker, PHP Maker, WordPress