Molecular Modelling, Simulations & Dynamics:

Molecular Dynamics & Modelling Sofware :

• AMBER : Information. AMBER refers to 2 things: a molecular mechanical force field for the simulation of biomolecules and a package of molecular simulation programs which includes source code and demo.
• GAUSSIAN : Home Page.
  
  • Gaussian 94 Technical Information.
  • Gaussian examples.
• MacroModel : Home Page. ( An Integrated Software System for Modelling Organic & Biorganic Molecules using Molecular Mechanics ). Prof. W. Clark Still, Department of Chemistry, Columbia University.
• MM3 : Molecular Mechanics Program Package.
• MMTK : Home Page. The Molecular Modelling Toolkit is a program library for molecular modelling applications.
• MOLCAD : Home Page. Department of Physical Chemistry. Darmstadt University of Technology.
• MOPAC : Semiempirical quantum chemistry program packages.
• SPARTAN-4.1 : Molecular mechanics calculations and semi-empirical and ab initio molecular orbital calculations. Home Page.
• Viewmol Version 1.4 : Quantum Chemistry Group at Humboldt University Berlin. Home Page

Molecular Modelling Research Groups :

• CMC Group. Utrecht University. The Nederlands : CMC Modelling Guide.
• MSC : Materials and Process Simulation Center. Welcome Page. Beckman Institute , California Institute of Technology.
  Molecular Modeling Gallery.
• University of Wisconsin Molecular Modelling Laboratory. UWMML WebPage.

Rational Drug Design :

• Rhinovirus-14 and Drug Design. Gallery of Proteins, Nucleic Acids and Drug Design Simulations.
• Advanced Computational Methods for Rational Drug Design. Prepared by the Center for Computational Engineering at Sandia National Laboratories, California.