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#481Computational Drug Design: Small Molecule Docking
 
Description:
This course will cover:
  • Background and theory
  • Strategies, evaluation criteria
  • Software, scoring functions
  • Data sets: PubChem (NCBI), ZINC
  • Validation and false positives

This is the sixth lecture in a nine-part series on computational structural biology presented by the NIAID Bioinformatics and Scientific IT Program. Please click on the following links to view and/or register for the other lectures.

Protein Structure Analysis: Introduction and Visualization

Introduction to Homology Modeling: Sequence Alignment and Template Selection

Advanced Homology Modeling: Model Optimization, Alignment Improvement (Threading), Protein Complexes

Loop Modeling and Protein Folding: Rosetta, Secondary Structure Predictions, Structure Validation, Database Mining

Protein-Protein Docking: Complexes Revisited, Constraints, Multi-domain Proteins

Molecular Dynamics: Macromolecular Simulations

Protein and Interface Design: A Real-world Example - Antibody Design, Publication-Quality Graphics

Structural Biology Laboratory

 
Who should attend:
NIH staff who work with protein modeling and would like to know more about the context.
 
Instructor(s):
Dr. Darrell Hurt, Ph.D., NIAID OCICB Bioinformatics and Computational Biosciences Branch (BCBB)
 
Time Required:
2 hours
 
Sections Available:
-- Concluded -- 481-09F November 12 9:00 - 11:00 Building 12A, Room B51
 
NOTE: Although this course has already taken place, we'll put you on a waiting list for the next available session.

Course Listing

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