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CAUT Computational Chemistry project
A joint effort developing computational chemistry courses for the web
Idioma: English / English | CMBI - Center for Molecular and Biomolecular Informatics.
We maintain computational facilities, databases, and software packages in bioinformatics and cheminformatics. The cheminformatics services are directly available at CMBI, many of the services are offered via the international service platforms (NBIC, EBI)
Idioma: English / English |
Computational Chemistry List (CCL)
an independent electronic discussion forum which allows researchers from around the world to exchange information and experiences.
Idioma: English / English | CSC's computational chemistry
CSC's computational chemistry services include access to a selection of software and databases through which researchers can gain information on molecular structure, reactivity and physical properties.
Idioma: English / English |
GAMESS
free package which includes both semi-empirical and ab initio methods. Graphics codes are also available.
Idioma: English / English |
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Information Retrieval in Chemistry
This ChemInformatics host aims at bringing colleagues
closer to information offered across the Internet in the field
of Chemistry and Chemistry related fields
Idioma: English / English |
Ligand-Protein Docking
Summarizes the latest work on docking of small molecules and drugs to biomacromolecules. Describes AutoDock, C-software freely available to the academic and educational communities.
Idioma: English / English |
Molecular Monte Carlo Page
for scientists and engineers using Monte Carlo methods to simulate systems at the molecular level.
Idioma: English / English |
TheRate: THEoretical RATEs
software project which implements a GUI written in Java with an underlying scientific code to calculate thermal rate constants from first principles.
Idioma: English / English |
UK Computational Chemistry Working Party
UK Computational Chemistry Working Party
Idioma: English / English |
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