CACHE TRC, Molecular Modeling

Molecular Modeling

PowerPoint presentation on Computational Quantum Chemistry by Phillip R. Westmoreland, University of Massachusetts Amherst
AIChE Computational Molecular Science and Engineering Forum Academic Research groups for ChE Job Opportunities On-line courses and texts Commercial and free software Other Links Journals and technical reports
Databases SWISS-PROT and TrEMBL - Protein knowledgebase PROSITE - Protein families and domains SWISS-2DPAGE - Two-dimensional polyacrylamide gel electrophoresis SWISS-3DIMAGE - 3D images of proteins and other biological macromolecules SWISS-MODEL Repository - Automatically generated protein models CD40Lbase - CD40 ligand defects ENZYME - Enzyme nomenclature SeqAnalRef - Sequence analysis bibliographic references Links to many other molecular biology databases
Tools and Software Packages Proteomics tools Identification and characterization DNA -> Protein Similarity searches Pattern and profile searches Post-translational modification prediction Primary structure analysis Secondary structure prediction Tertiary structure Transmembrane regions detection Alignment Melanie 3 - Software for 2-D PAGE analysis SWISS-MODEL - Automated knowledge-based protein modelling server Swiss-PdbViewer - Software for structure display and analysis Boehringer Mannheim's Biochemical Pathways
Education and Services The ExPASy FTP server Swiss-Shop - automatically obtain (by email) new sequence entries relevant to your field(s) of interest Masters Degree in Bioinformatics 2-D PAGE training - attend a one-week course in Geneva SWISS-2DSERVICE - get your 2-D Gels performed according to Swiss standards
Documentation What's New on ExPASy SWISS-FLASH electronic bulletins SWISS-PROT documents How to create HTML links to ExPASy Complete table of available documents
Amos' WWW links - The ExPASy list of Biomolecular servers
CMS-SDSC - The CMS-SDSC Molecular Biology Resource
Biology links - from Harvard University
List of on-line guides and tutorials by NIH Center for Molecular Modeling
Theoretical Chemistry: A Self-Guided Introduction for College Students (Jack Simons)
Online course in Molecular Modelling for Organic Chemistry (Henry Rzepa)
Graphics for molecular modeling by François Savary of the University of Geneva
Java educational modules on Maxwell-Boltzmann distribution and atomic quantum mechanics Andy Rappe and Charlotte Zales
Molecular Models Available Online Over 210,000 molecular models are available online. The site lets you view models by category, formula, fragments, valences and orbitals. The molecules can easily be downloaded, printed, bookmarked, or e-mailed
Indiana University Molecular Structure Center Indiana University's Molecular Structure Center hosts a website for researchers that features three-dimensional molecular models. The lab uses X-Ray crystallography to create the models.