This page is intended to provide a small number of "useful" hyperlinks. Of course, utility is a subjective
concept but they have at some stage been of use to me! If you find a broken or missing link please
let me know and I will try to ensure that it is corrected as soon as possible.
General links and portals |
Databases |
Scientific Societies |
On-line journals |
On-line learning materials and courses |
Software companies and packages |
General search engines
General links, computational chemistry portals
Computational Chemistry List (a discussion forum for all those interested in computational chemistry)
ChemDex (World-wide chemistry directory)
ChemWeb (Magazine, library, databases, information)
National Institutes of Health molecular modelling home page
Expert Protein Analysis System (ExPASy) (proteomics server of the Swiss Institute of Bioinformatics)
National Center for Biotechnology Information (NCBI) (resource for molecular biology information - USA)
European Bioinformatics Institute (EBI) (research and services in bioinformatics - Hinxton, UK)
Protein Information Resource (PIR) (protein sequence database and associated tools)
The World-Wide Web Virtual Library: Chemistry (portal for chemistry-related links)
CMC Modelling guide (Computational Medicinal Chemistry - Utrecht University)
ChemInfo at Indiana University (Chemistry information resources)
UniGuide Academic Guide - Chemistry (large list of hyperlinks)
Databases
Cambridge Crystallographic Data Centre (small-molecule organic and organometallic crystal structures)
Inorganic Structural Database (inorganic crystal structures)
Protein Data Bank (3D protein structures)
GenBank (NCBI Nucleic acid sequence database)
EMBL Nucleotide Sequence Database (EMBL nucleic acid sequence database)
DDBJ (Japan nucleic acid sequence database)
PIR-International Protein Sequence Database
Swiss-Prot, TrEMBL (Swiss-Prot database)
SCOP (structural classification of proteins, Cambridge)
CATH (Protein structure classification, UCL)
FSSP (Protein fold classification database, EMBL)
Prosite (database of protein families and domains, Switzerland)
Learned Societies
American Chemical Society
Royal Society of Chemistry (U.K.)
Molecular Graphics and Modelling Society
UK-QSAR group
Chemical Structure Association
Royal Society of Chemmistry Molecular Modelling Group
American Chemical Society Chemical Information
Division
American Chemical Society Computers in Chemistry Division
Journals and other reference sources
Journal of molecular modeling
Network Science (an on-line
journal of science and computers)
Journal of Computational
Chemistry
Journal of Computer-Aided
Molecular Design
Journal of Molecular
Graphics and Modelling
Molecular Simulation
Reviews in Computational
Chemistry
The Encyclopaedia of Computational Chemistry
Nature
Science
BioMedNet
Chemical Informatics Letters
Lecture notes and on-line learning
Virtual School of Molecular
Sciences - Nottingham
Molecular Modelling
for Organic Chemistry (Imperial College)
NIH list of
on-line tutorials
Software companies and software packages
Molecular Simulations (MSI)
Tripos
Chemical Computing
Group
Daylight
Molecular Design
Schrodinger
Gaussian Inc
AMBER
DOCK
Swiss-Model
(automated protein modelling server)
Corina (3D
structure generation)
Internet Search Engines
Google
Altavista
Yahoo
Webcrawler
DogPile