• Background and theory
  
• Applications, limitations, constraints
  
• Software: AMBER, CHARMm, NAMD
  
• Strategies: solvation, counterions, membranes, substrates, coarse-graining
  
• Validation: equilibration, trajectories

This is the seventh 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

in silico Drug Screening: Small Molecule Docking

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

Structural Biology Laboratory