Software development and management

I have gained proficiency in several molecular modeling and simulation software packages such as Tripos Sybyl 7.1, Schrödinger Suite, Accelrys Discovery Studio, MOE, Cambridge ChemOffice, Gromacs, Amber, and NAMD, as all of the above-mentioned studies were performed using these software packages. Being a student of Pharmacoinformatics, I have been successfully applying knowledge of information technology for my research projects in pharmaceutical sciences. I have gained experience in developing computational infrastructures for research work such as computer lab set‑up, software installation, networking, and data management. I have written several scripts in Bash, Python, and C++ programming languages to automate and accelerate the analysis of large data generated during my research work. Some of these programs are available in my GitHub repository (https://github.com/prajwal07). I won the first prize in Hackathon session on the development of a tool for setting up MD simulation held in the Macromolecular simulation software workshop, at CECAM- Forschungszentrum Jülich GmbH, Jülich, Germany (https://www.h-its.org/news/cecam-workshop-hackathon/). During my Ph.D., I led a team, to develop the ReSite tool, which can be used for the analysis of molecular docking results. The ReSite tool is developed in C++ programming language. The ReSite tool is freely available on the NIPER website (http://www.niper.ac.in/pi_dev_tools/ReSite/resite_index.html).