Drug Design Training Course

Node ID: 15090
 

Duration

21 hours
 

Requirements

A Bachelors Degree in biology or related areas is recommended.

 

Public Course Dates

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Overview

This course has been created for people who want to understand the basics of structural bioinformatics including protein-ligand docking and virtual screening, i.e.:

  • Researchers whose main area or expertise is not a structural bioinformatics, but they want to broaden their knowledge in this field
  • Computer programmers who are going to deal with structural data (crystal structures, PDB format files, modeling pipelines) or with docking/virtual screening software
  • Biology, biotechnology and bioinformatics students who want to expand their knowledge into structural bioinformatics and molecular interactions

This course is more like a workshop. Trainer introduces theoretical bases as well as basic pipeline for structure modeling and molecular interactions.

 

Course Outline

Biological structures

  • Structure and function of DNA, RNA and proteins
  • Information provided by 3D structures
  • General methods of solving protein structures

Structural databases and formats

  • Protein Data Bank
  • PubChem and ZINC libraries
  • Structural file formats

Protein-ligand docking

  • Representation of macromolecules and ligands
  • Search methods and flexibility of objects
  • Scoring methods
  • Useful data in docking
  • DOCK6 approach of protein-ligand docking
  • Virtual screening
  • Examples