1. Guides and Tutorials
  2. Molecular Modeling References
  3. Special Topics


Guides and Tutorials

The NIH Guide to Molecular Modeling (an electronic textbook of the principles and practice of molecular modeling).
Global Instructional Chemistry (R. Kinder & H. Rzepa, Imperial College).
Hyperactive Molecules (H. Rzepa, Imperial College & B. Whitaker, Leeds).
Organic Chemistry Resources - Molecular Modeling (Y. Wong & C. Yip, Virginia Polytechnic Institute & State Univ.).
Molecular Graphics (J. Weber, Univ. of Geneva).
QUANTA Tutorial Part I and Part II (Univ. of York).
The Cambridge University Molecular Modeling Teaching Laboratory (J. Goodman, Cambridge Univ.).
MATHMOL (Marvin Rich, NYU).


Molecular Modeling References

Locally maintained list of references.
Perform a Medline search (with available abstracts).


Special Topics

Structure-Activity Relationship Analysis and Drug Design

Guide to Computer-Assisted Drug Design (Lisa Balbes, Ohio State Univ.).
The Drug Information System 3D Database (The National Cancer Institute).
HIV Protease Inhibitors (Cambridge Univ., Dept. of Pharmacology, Drug Design Group).

Homology Modeling using Insight II (Univ. of Zurich)

Specific Proteins

Acetylcholinesterase (Richard E. Gillilan, Daniel Ripoll, and Carlos Faerman, Cornell).
Heat-Labile Enterotoxin (Eric Toone, Duke Univ.).
Interleukin-7 Model (Larry Cosenza, Boston Univ.).
Major Histocompatibility Complex (Paul Travers and Chris Thorpe, Birkbek College).

G Protein-coupled Receptors

Structural Biology Topics

Molecular Animations of Large Molecules (Andrew Booth, Leeds Univ.).
Protein Folding (David Shalloway and Thomas Coleman, Cornell Univ.).
Geometric Aspects of Protein Structure and Function (Michael Prisant, Duke Univ.).
Protein Secondary Structure (Kurt Berndt, Karolinska Institute).
Protein Structures (Birkbeck College, Department of Crystallography).
Structural Biology Research (Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana-Champaign).