Hi, I'm Vicky Lone

Computational Drug Designer

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About Me

I am a pharmaceutical researcher with a focus on computational drug discovery. My work involves using computer-based methods to identify and evaluate potential drug candidates. I have published two peer-reviewed research papers where I worked on problems such as diabetic nephropathy and lung cancer, using techniques like molecular docking, molecular dynamics simulations, and drug repurposing strategies.

I enjoy applying research skills to real-world problems and am particularly interested in industry-focused drug discovery, where science, data, and practical impact come together. This website showcases my research work and technical skills.

Core Skills

Molecular Docking Molecular Dynamics (MD) Simulations Pharmacophore Modeling Binding Free Energy Calculations (MM/GBSA) Protein–Ligand Interaction Analysis RMSD, RMSF & Trajectory Analysis Virtual Screening (Large Chemical Libraries) Lead Identification & Optimization ADMET & Drug-Likeness Analysis Structure-Based Drug Design (SBDD)

Currently Exploring

RdKit Free Energy Calculations AI/ML Applications in Drug Discovery QSAR Modeling Workflow Automation for Virtual Screening

My Projects

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Thiazole-Based SGLT2 Inhibitor Discovery for Diabetic Nephropathy

Discovered potential non-glycosidic SGLT2 inhibitor leads by using an integrated computational workflow involving pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulations.

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Drug Repurposing of Antimalarial Agents for Lung Cancer Therapy

Evaluated FDA-approved antimalarial drugs as multi-target candidates for non-small cell lung cancer using molecular docking, molecular dynamics simulations, and in vitro anticancer assays.

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