Protein Structure Prediction and Validation in Structural Biology

The "Protein Structure Prediction and Validation in Structural Biology" workshop offers an in-depth exploration into the methodologies and technologies used to determine the three-dimensional structures of proteins. This workshop delves into various computational approaches such as homology modeling, threading, and ab initio modeling, emphasizing the importance of structural accuracy and validation techniques. Participants will learn about the significance of protein structures in understanding biological functions and developing therapeutic interventions. Throughout this 3- days workshop, participants will engage in hands-on sessions, utilizing advanced software and databases to predict protein structures and validate their accuracy through techniques such as X-ray crystallography and NMR spectroscopy. The curriculum is designed to provide a comprehensive understanding of the structural biology field, fostering the skills required for both academic research and industrial applications. By the end of the workshop, participants will be proficient in using bioinformatics tools and understanding the practical applications of protein structure prediction in drug discovery and biotechnology.

To equip participants with the knowledge and skills necessary to predict and validate protein structures, leveraging cutting-edge computational tools and techniques in structural biology.

Module 1

• Protein and their interaction with ligand
• Overview of protein 3D structure file format
• Overview of small molecule databases

Tools:

• PubChem/Drug Bank/Zinc Database
• Protein Data Bank (PDB)/PDBSum

Module 2

• Comparative modeling/homology modeling
• Protein 3D structure Prediction based on homology
• Ab initio structure prediction

Tools: Modeller & Online tools Module 3

• Structure validation
• Protein Structure validation
• Ramachandran plot

Tools: SAVES server