Technical Skills / Expertise : 

• Workflow management system: Snakemake

• Quantum Mechanics: GAUSSIAN, QUICK, GAMESS, QCHEM, TURBOMOLE, DEMON-2K, VASP

• Molecular Mechanics: CHARMM, AMBER, NAMD 

• QM/MM Simulation: CHARMM

• Method Development: EnzyDock (docking methodology), NMR Chemical Shift workflow, Collisional Cross Section (CCS) workflow

• Protein-Ligand Docking: EnzyDock, Glide, CDOCKER

• Programming: Fortran, Python, and Shell Scripting

Technical Skills / Expertise : 

• Modelling and Analysis: PYMOL, VMD, CHIMERA, AVOGADRO, MOLDEN, Maestro (SCHRODINGER), Discovery Studio, MODELLER, GNUPLOT, CHEMDRAW, VESTA, P4VASP

• Computational Environment: CPU and GPU environment, Massively parallel architectures, Linux

• Experienced with HPC Setup, Grant Writing, Manuscript Writing, Handling Collaborative Projects, Self-Motivated, Teamwork