Drug discovery foundations
Understand how molecular docking fits into the broader drug discovery pipeline and where structure-based design adds value.
Program 01 — Computational Biology
Master Molecular Docking for ModernDrug Discovery
Build industry-ready skills in molecular docking, virtual screening, and structure-based drug discovery through live training, guided virtual internship, and real pharmaceutical case studies.
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Overview
From protein structures to a portfolio-ready docking project.
This live cohort introduces students to molecular docking and computer-aided drug discovery from the ground up. Students work with real protein structures, prepare ligands, perform docking simulations, analyze protein-ligand interactions, and complete a portfolio-ready capstone project using widely used bioinformatics tools.
FormatLive Interactive Sessions
Duration30 Days
Next batchSeptember 2026
Next intakeEnrollment Open
Curriculum
Learn the workflow, not just the tools.
Protein preparation
Work with protein structures from the PDB, clean them, and identify active sites before docking.
Ligand preparation
Prepare ligands from PubChem and ChEMBL, review drug-like properties, and optimize compounds for docking.
Docking workflow
Configure docking runs in AutoDock Vina and PyRx, set up grid boxes, and analyze docking outcomes.
Interaction analysis
Interpret binding poses, analyze hydrogen bonds and hydrophobic contacts, and evaluate docking scores.
Virtual screening and ADMET basics
Screen compound libraries, identify promising hits, and introduce the fundamentals of lead selection and drug-likeness.
INDUSTRY CAPSTONE
Build one portfolio-ready project that demonstrates the skills employers expect.
Every Nexxora cohort concludes with one mentor-guided capstone project designed to strengthen your portfolio, build practical experience, and prepare you for interviews.
Computer-Aided Drug Discovery Workflow
Complete an end-to-end virtual drug discovery workflow including target preparation, molecular docking, result interpretation, and scientific reporting using industry-standard computational tools.
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Drug discovery portfolio
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Molecular docking workflow
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Scientific interpretation
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Research interview project
Career Outcomes
Practice for the role you want next.
01
Molecular Docking Intern
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Computational Biology Intern
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Drug Discovery Intern
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Bioinformatics Research Assistant
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CADD Trainee
Certificate
Evidence of work completed.
Graduates receive a Nexxora cohort certificate tied to their completed projects, mentor review, and live learning record.
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Nexxora
Industry Project Certificate
Training Certificate, Virtual Internship Certificate are awarded on completion of the program.
Questions
Before you apply.
Biotechnology, bioinformatics, pharmacy, microbiology, biochemistry, life sciences, and research scholars who want to build practical drug discovery skills.
You will work with AutoDock Vina, PyRx, PyMOL, Discovery Studio Visualizer, Open Babel, ChimeraX, PubChem, and the Protein Data Bank.
You will complete a professional molecular docking capstone project with documentation, analysis, and presentation-ready results.