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Computational Chemistry
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8 sites in Computational
Cambridge University Silicon Graphics Teaching Laboratory
An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
www.ch.cam.ac.uk/cil/SGTL/
QSAR World
Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature
www.qsarworld.com/
Australian Computational Chemistry Via the Internet Project
A set of web-based teaching modules as well as links to related sites.
www.chem.swin.edu.au/
Molecular Docking Web
Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
www.scripps.edu/mb/olson/people/gmm/
Computational Chemistry and Organic Synthesis
A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html
MatHub
Features current and background information about molecular modeling and informatics for chemistry and materials science.
www.mathub.com/
Centre for Molecular Modeling
Provides several tutorials related to molecular modeling, directory of software and links to databases.
cmm.info.nih.gov/modeling/
Computational Chemistry List
A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
www.ccl.net/chemistry/