Master Molecular Docking Like a Pro

Learn AutoDock Vina, HDOCK, and ClusPro with real drug-target systems. Hands-on, guided, and industry-ready.

Explore DFT Calculations with Expert Guidance

Understand HOMO-LUMO gaps, molecular orbitals, and reactivity using Gaussian & ORCA. From basics to advanced.

Run MD Simulations on Real Systems

GROMACS, AMBER, NAMD — simulate protein dynamics, drug binding, and membrane interactions with step-by-step workflows.

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Courses, workshops & virtual labs trusted by PhD scholars, M.Sc. students, and research associates in 50+ countries.

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Molecular Docking
Learn ligand docking using AutoDock Vina & more.
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DFT Calculations
Explore quantum chemistry with Gaussian & ORCA.
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Molecular Dynamics
Run MD simulations using GROMACS.
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Drug Discovery
In silico techniques for modern drug discovery.
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ADMET Prediction
Predict ADMET properties for drug candidates.
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Virtual Lab Experiments
Perform virtual experiments and understand concepts.
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What Our Learners Say

Dr. Renu Parashar
"

I recently attended the workshop on Molecular Docking and found it incredibly valuable for my work in CAAD and MD simulations. The sessions were insightful, engaging, and delivered with great clarity. We covered essential concepts like criteria for evaluating a compound as a potential medicine and practical rules such as Lipinski's Rule of Five.

Dr. Renu Parashar
Associate Professor, Dept. of Chemistry, Hansraj College, University of Delhi
Dr. Ak Prabhakaran
"

I really enjoyed the 10‑day workshop organized by VirtualChem Labs. The hands‑on sessions were clear, well‑structured, and easy to follow.

Dr. Ak Prabhakaran
Professor, Dept. of Physics, Veltech Rangarajan Dr. Sagunthala R & D Institute of Science and Technology
Pranjal Shukla
"

I am grateful to VirtualChem Labs for organizing the 10-Day Online Workshop on Computational Drug Design, Molecular Docking, and MD Simulation. The program offered clear insights into modern molecular modeling approaches and significantly strengthened my practical understanding of computational drug discovery workflows.

Pranjal Shukla
Research Scholar, Dept. of Chemistry, University of Mumbai

Molecular Docking DFT Calculations MD Simulations

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