New Year Offer End Date: 31st January 2024

Protein Structure Prediction and Validation in Structural Biology

Analyzing Proteins: A Virtual Workshop on Structure Prediction & Validation.

About Workshop:

Proteins are an important class of biological macromolecules present in all biological organisms. All proteins are polymers of 20 different amino acids. Proteins fold into one, or more, specific spatial conformations to perform its biological function, driven by a number of noncovalent interactions. In order to understand the functions of proteins at a molecular level, it is necessary to determine its 3D structure. Thus, protein sequence (primary and secondary) and structure prediction is an important part of analysis in proteomics. This will lead to predict and analyze the 3D structure (Structure Prediction and validation) of a protein.

Aim: To build three-dimensional protein structure models and validation from scratch. The workshop aims to equip participants with advanced skills in Protein Structure Prediction and Validation, fostering a deeper understanding of computational tools and methodologies in Structural Biology. This workshop intends to provide an arena for students, faculty and researchers in discussing the following topics as well as to provide hands on training in the following key areas in structural biology.

Course Objectives:

What you will learn?

Day 1

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


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

Day 2

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

Tools: Modeller & Online tools

Day 3

  • Structure validation
  • Protein Structure validation
  • Ramachandran plot

Tools: SAVES server

Intended For : Genetics and Genomics Research, Biomedical and Clinical Genomics, Pharmaceuticals and Drug Development, Bioinformatics and Computational Biology, Agricultural and Environmental Genetics, Startups and Biotechnology Companies, Personalized Medicine and HealthTech, Veterinary Genetics

Career Supporting Skills

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Course Outcomes

  • In-Depth Knowledge: Gain a comprehensive understanding of protein-ligand interactions, 3D structure file formats, and small molecule databases.
  • Modeling Proficiency: Acquire practical skills in comparative modeling, homology-based prediction, and ab initio structure prediction using tools like Modeller.
  • Validation Expertise: Develop competence in structure validation techniques, including the interpretation of Ramachandran plots and utilization of the SAVES server.
  • Practical Application: Apply theoretical knowledge through hands-on exercises, independently constructing and validating three-dimensional protein models.
  • Job Readiness: Attain job-ready skills for roles in structural biology, with a certificate of completion acknowledging the acquired competencies in protein structure prediction and validation.