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application databases

RCSB Protein Data Base

This website is an “Information Portal To Biological Macromolecular Structure”. It is a protein data bank that contains a very large structural database in addition to providing a variety of tools and resources for studying the structure of biological macromolecules and their relationships to sequence, function and disease.

Peak Assignments in NMR, IR, and Mass Spectra

This website provides resources that can aid in the assigning NMR proton shifts, IR peaks and mass loss in mass spectrometry. The original site is in German, but most (but not all) the content is translated on the English version of the site. From the left hand menu under Spektroskopei-Tools choose Wizards. From here you can…

Waters Corporation

This is an all-inclusive site in terms of information about HPLC. What may be most useful to students, faculty and early practitioners of HPLC are "New Academia Area" and "Life Science Solutions - New Initiatives." The company application notes are available as pdf files, and the application library is available with a link from the home…

Toxicological Profiles

The Federal Agency for Toxic Substances and Disease Registry (ATSDR) produces "toxicological profiles" for hazardous substances found at National Priorities List (NPL) sites. These hazardous substances are ranked based on frequency of occurrence at NPL sites, toxicity, and potential for human exposure. Toxicological profiles are developed from a priority list of 275 substances. This site…

The NIST Webbook

Chemical and physical property data on over 30,000 compounds. Information includes mass spectra, infrared spectra, UV-Vis spectra, and a large amount of thermodynamic data generated by NIST scientists over the last 30 years.The website is available here .
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