institute for computational biomedicine:Molecular Modeling and Quantum Chemistry Tools

CRT home > Molecular Modeling and Quantum Chemistry Tools

AMBER	A package for performing molecular dynamics computations, and an associated molecular mechanical force field.
CHARMM	A popular and feature-rich molecular mechanics and molecular dynamics package.
Gaussian	Performs a variety of semi-empirical and ab-initio molecular orbital (MO) calculations.
Procheck	Assesses how normal, or conversely how unusual, the geometry of the residues in a given protein structure is. Especially useful for assessing the stereochemical quality of a protein structure.
VMD	Molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting
VMD plugins	Plugins for VMD developed at the Department of Physiology and Biophysics

News

Jun, 2008; Bioinformatics meets Alzheimer's disease research. Read about the discovery of the CALHM1 P86L polymorphism. The study appeared in the June 27th issue of Cell. [More]
Mar, 2008; A free bioinformatics walk-in clinic will be available every Monday, 1-3pm at the Weill Cornell Medical Library, in the Computer Room on the lower level. [More]

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Aug 25-29, 2008: Stanford University, CA - 7th Annual International Conference on Computational Systems Bioinformatics. Hosted by: Life Sciences Society [More]
Sep 22-26, 2008: Goettingen, Germany - Fall Course on Computational Neuroscience at the Max Planck Institute for Dynamics and Self-Organization. This annual course comprises tutorial lectures and seminar style coverage of selected current topics. Registration deadline: Aug 8, 2008. [More]