PKAL Computational Resources

 

Caffeine

 

alanine dipeptide

 

Orotidine Monophosphate Decarboxylase

 

PKAL

2001 Summer Institute Web Site

 

Computational

 

Gaussian 98

* Gustavus Computational Server: Site License

* Gaussian Web Site

WebMO

*Web based visualization and job control of computational software

*Gustavus WebMO Gaussian 98 Computational Server

http://slater.chem.gac.edu/cgi-bin/webmo/login.cgi

*http://webmo.net/

HyperChem

* Hyperchem: 6 client license available on campus

* HyperCube Website

* Download free Webviewer

Chemscape Chime

* Web page embedded molecular models

* Chime

RasMol

* Molecular Visualization Freeware

* RasMol

VMD

*Visual Molecular Dynamics

*http://www.ks.uiuc.edu/Research/vmd

gOpenMol

* Molecular Visualization software

* gOpenMol Site

 Protein Databank

* Worldwide repository for the processing and distribution of 3-D biological macromolecular structure data.

* The RCSB Protein Data Bank

NIH Center for Molecular Modeling

* NIH

* Universal Molecular Modeling Software List

Examples

* Link to example/exercise page

 

Bioinformatics

 

Genomics Analysis of the HIV Protease

*Exercise

*http://www.gac.edu/~eb/hivprotease/Genomics_Analysis_of_the_HIV_Protease.html

 

 

 

 

created by Jonathan M. Smith

Department of Chemistry

Gustavus Adolphus College

July 2001

jmsmith@gustavus.edu