Madhura Mohole

About Madhura Mohole

Hi, I am a computational biophysicist by training, with ~10 years of experience in molecular modeling and simulations, and bioinformatics. I have -• -proficiency in all-atom and coarse-grain molecular dynamics simulations of membrane and soluble proteins, lipids, and small molecules using GROMACS, CHARMM-GUI• -experience in SBDD, PROTAC, Protein design, Target analysis, Enhanced sampling MD methods• -developed large-scale simulation data analysis pipelines using Perl, Bash scripting to investigate complex biomolecular interplays such as lipid-protein, protein-protein, and ligand-protein interactions• I am well-versed in tools and techniques for sequence alignments, structural bioinformatics, molecular docking, homology modeling, etc.• -been actively involved in multiple collaborative and individual long-term as well as time-sensitive projects and publication of research work• -mentored graduate and undergraduate research students• -demonstrated leadership, creativity and curiosity-driven work ethic; problem-solving capability• I am eager to contribute and learn SOTA methods to address pertinent challenges at the interface of biomolecular dynamics and emerging data-driven modeling, and drug-discovery techniques• Key skills: Molecular dynamics | Biological data analysis | Statistics | Scientific writing | Biomolecular modeling | Bash, Perl, Python (basic)| Supervised ML (basic)• Google Scholar: & hl=en• GitHub: https://github.com/msm-28

Experience

1. Scientist Ii

   Aganitha

   Mar 2026 — Present

   LNPs, Ionizable LipidsPolymers

Education

• Academy of Scientific and Innovative Research

  Doctor of Philosophy - PhD, Science

• Savitribai Phule Pune University

  BSc, Biotechnology

• Savitribai Phule Pune University

  MSc, Bioinformatics