QM/MM optimization methods
Calculation of spectroscopic properties using Density Functional Theory
Small Molecule Drug Docking (Computer Aided Drug Design)
Network Analysis and computing correlations from MD trajectories
Unix/Linux, bash scripting, shell commands and programming in Fortran and Python languages.
- Software:
- Acquired sound knowledge of computer applications like chemical structure drawing, data plotting software (Origin, GNUPLOT, XMGrace-5.1) and molecular structure visualization software (Chimera, Gaussview5.0, Macmolplt, Materials Studio, Maestro, PyMOL, VMD, Xmakemol). Used multiple ab-initio and Molecular Dynamics software packages such as - Amsterdam Density Functional (ADF), Gaussian, Gamess, Gromacs, Materials Studio (Accelrys)-DMol3, NAMD, NWChem, Schrodinger Suite, Vienna Ab-initio software package (VASP). Proficiency with small molecule drug docking tools (such as Glide, QikProp etc.),
- Chemistry Skills:
- Various organic chemistry laboratory skills involving separation techniques, column chromatography, TLC, crystallization, purifying/drying solvents, using organometallic reagents, laboratory safety methods etc. Extensively used NMR (both 1D and 2D) spectrometer (1H, 13C, IR, Mass spectroscopy and gel- electrophoresis, HPLC, GC-MS.
- Writing Skills:
- Draft scientific publications, grants etc. Extensively used Sci-finder, Web of Science, Patent searches and utilized other Internet resources (e.g. PubMed, Cambridge Cluster database, Protein data bank etc.) to dig out scientific information and literature to solve multiple synthetic and computational chemistry problems.
- Teaching/Leadership Skills:
- Five years of undergraduate teaching experience helped gain experience in training and supervising undergraduates with basic organic synthetic techniques and physical chemistry principles. Tutored UNL and nearby community college students for general, organic and physical chemistry courses.
- Able to work independently as well as within a team based environment.
- Other skills/Hobbies:
- Driving (race-cars, monster trucks, ATVs), Hiking, Biking, Running, Cooking/Fine-Dining, Kayak-Canoeing, Fly-Fishing, Traveling.