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Protein structure is essential for understanding biological function, molecular interactions, and disease mechanisms. When experimental structures are unavailable, homology modeling provides a reliable approach by leveraging known templates from the Protein Data Bank (PDB). Accurate modeling depends on selecting suitable templates, building high-quality alignments, generating multiple candidate models, and validating structural quality before use in docking or simulation studies.
In this workshop, participants will learn a complete MODELLER workflow: sequence retrieval, BLAST-based template search, alignment building, automated model generation, loop refinement, and model ranking using scoring functions (e.g., DOPE). Participants will also validate models using standard structural checks such as Ramachandran plots and quality scores, enabling confident selection of the best 3D model for research applications.
This workshop aims to train participants in protein structure prediction using comparative (homology) modeling with MODELLER. It guides learners through the complete workflow from protein sequence analysis to building, refining, and validating 3D structural models. Participants will understand how sequence similarity, template selection, and model assessment influence structural accuracy. The program emphasizes practical, dry-lab skills relevant to structural biology and drug discovery.
Day 1: Homology Modeling Workflow & Building the First Model
Day 2: Refinement, Validation & Reporting
02/01/2026
IST 07:00 PM
02/01/2026 – 02/03/2026
IST 08:00 PM
Prof. Kumud Malhotra, Dean of the University Institute of Physical and Life Sciences with 30 years of experience is an academician and administrator and has attained the highest echelons in the educational sector by managing senior positions, like Director, Dean, Managing Editor, or Editor-in-Chief . . .
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PhD in Computational Mechanics from MIT with 15+ years of experience in Industrial AI. Former Lead Data Scientist at Tesla and current advisor to Fortune 500 manufacturing firms.
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