Rajendra Kumar

Career Interest: Software and method development in computational drug-design, computational biophysics, computational bio-engineering, and computational genomics. Technical Skills: Web development: Front-end (knockoutjs, jquery), Back-end (Flask, sqlalchemy), Database (SQL) Programming: C/C++, Python, Javascript, HTML, CSS3, Perl, Shell Tools: Qt Designer, git, CMake, travis-ci, docker Others: GUI – Qt5, Python-C++ binding (pybind11), Cython. Data Analysis: Numpy/Scipy, scikit-learn, matplotlib COMPUTATIONAL SKILLS * Molecular simulations --- GROMACS, AMBER-AmberTools and NAMD-VMD * Quantum Chemistry --- Gaussian, GAMESS, MOPAC --- Optimization, solvation energy, pKa and absorbance. * Docking --- AutoDock vina, MGL tools --- Ligand docking and virtual screening. * Protein modeling --- Modeller, Chimera, Pymol and FoldX --- Homology modeling and loop refinements, mutations, folding free energy and thermostability predictions. * Chemoinformatics --- MOE, RDKit, Openbabel --- Descriptor calculations, QSAR/QSPR. * Pipelining protocols --- Python Programming --- Building and automating protocols with utmost flexibility in usage * Data Analysis --- Numpy/Scipy, Scikit-Image, Scikit-Learn, Matplotlib, Pandas, MATLAB --- Mathematical calculations, Statistical analysis, Machine learning, and data visualizations. * Molecular visualizations --- VMD, Pymol, Chimera --- Visualizations, editing and high-resolution rendering. * Bioinformatics --- BLAST, ClustalW, ClustalOmega, MAFFT, SeqAn, Biopython, CD-Hit, Genome Browser --- Pairwise and Multiple Sequence Alignments, Sequence Conservation, Sequence search using BLAST and pattern matching, Phylogenetic analysis, Sequence clustering Motif finding and search, Genomic data analysis (ChIP-seq, RNA-seq etc.) * APIs --- GROMACS, APBS, OpenBabel, RDKit, SeqAn, Biopython --- Use these software through their APIs to develop new methods, protocol and tools