Ishita Mondal

I am currently pursuing my Master of Science in Chemistry from IIT Kharagpur, where I have maintained a CGPA of 9.32 while engaging in research focused on molecular docking and dynamics simulations. Throughout my academic career, I have consistently ranked at the top of my class, demonstrating a strong commitment to educational excellence and a passion for computational chemistry.

M.Sc. Summer Internship - IIT Kharagpur - Kharagpur, West Bengal

(2025-05 - 2025-07)

• Conducted molecular docking and molecular dynamics (MD) simulations to investigate ligand binding behavior of the Mycobacterium tuberculosis DapC enzyme.
• Prepared high-resolution protein structures, performed active-site analysis, and optimized ligand geometries prior to simulations.
• Simulated enzyme–ligand complexes in explicit solvent using AMBER and analyzed RMSD, RMSF, hydrogen-bond occupancy, and binding free energies.
• Provided insights into structure-based drug design by identifying key active-site residues and evaluating interaction stability.

M.Sc - Chemistry - IIT KHARAGPUR (2024 - 2026)

B.Sc - Chemistry - SIDHU KANHU BIRSA UNIVERSITY (2021 - 2024)

HIGHER SECONDARY EXAM - WBCHSE (2021 - 2021)

SECONDARY EXAM - WBBSE (2019 - 2019)