Swain Library News

Predicting Protein-Ligand Interactions Using Experimental Data

Macintosh and Windows versions of SuperStar are now available for downloading. (Listed under Cambridge Structural Database)

About: “SuperStar is a program for generating maps of interaction sites in proteins or around small molecules using experimental information about intermolecular interactions. The interaction maps that SuperStar generates are therefore fully knowledge-based.

SuperStar retrieves its data from IsoStar, CCDC’s interaction database. IsoStar contains information about non-bonded interactions from both the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB).”

For more details, please see the SuperStar page from Cambridge Crystallographic Data Centre.

Numerical Computation Package

About: “Polymath is a proven computational system that has been specifically created for professional and educational use. The various Polymath programs allow the user to apply effective numerical analysis techniques during interactive problem solving on personal computers. Results are presented graphically for easy understanding and for incorporation into papers and reports. Engineers, mathematicians, scientists, students, or anyone with a need to solve problems will appreciate the efficiency and speed of problem solution.
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DIADEM is a convenient interface to the DIPPR^® 801 Database that enhances one’s ability to view, calculate, plot and compare the thermophysical properties in the database.

Why waste your time in the tedious data search and evaluation process? Leave it to the experts! (more…)

“Scientists worldwide can now access more than 23.8 million predicted proton NMR spectra in SciFinder, CAS’ leading research and discovery tool and the authoritative source of information on more than 41 million chemical substances. These proton NMR spectra augment the 1.9 billion predicted and experimental properties and data tags already available in SciFinder.

CAS is making the proton NMR spectra available through an agreement with ACD/Labs, a respected organization that has supplied other property information to CAS.”

Read the full press release.

For many years, we have had a license agreement to ACD’s I-Lab which is a web interface that provides predicted CNMR and HNMR spectral diagrams, IUPAC names, and predictions for physical properties.

Because the software offers more functionality — for example it includes a 2D NMR Processor — I decided to replace I-Lab with the equivalent software. I-Lab will not longer be available after March 2009. This (PC Only) software includes: ACD/CNMR Predictor, HNMR Predictor, NMR Processor, Name & PhysChem Suite v.12. To download, please go to the Swain software page.

Mac (and PC users) will be able to access this software on-campus or off-campus via CDSERVER, which uses a web browser and a Citrix plug-in. CDSERVER is not compatible with Vista. Swain will also have ACD’s software loaded on most computers (all except three “public kiosk” computers).

The new international forum for applied materials science and engineering

ACS Applied Materials & Interfaces is being launched with the goal of becoming the international publication of choice for the interdisciplinary community of chemists, engineers, physicists and biologists focusing on how newly-discovered materials and interfacial processes can be developed and used for specific applications. The journal will publish full length articles and letters from researchers in academia and industry in addition to featuring comments and forums dedicated to
advancing applied materials research.

Topics covered by ACS Applied Materials & Interfaces will include:
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The testing ground for the Journal of the American Chemical Society website

JACS Beta presents, encourages, and facilitates innovations and new approaches to the presentation of chemical and related research to further communication and understanding as emerging fields and disciplines blend at the interfaces of chemistry, biology, and beyond.
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Thanks to collaborative purchasing via the Northeastern Regional Library Consortium (Stanford is a member), I am pleased to announce that all Stanford students, faculty, staff, and walk-in visitors have access to all journals published by Springer for the years 1997 to the present through SpringerLink. This agreement includes access to over 2000 journals as well as two years access to any newly launched titles. We will only have archival access to subscribed titles.
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A new journal of quantitative biosciences from nano to macro

Scope
Launching in January 2009, Integrative Biology will provide a unique venue for elucidating biological processes, mechanisms and phenomena through quantitative enabling technologies at the convergence of biology with physics, chemistry, engineering, imaging and informatics.

Topics include:
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A new journal covering the research fields related to biometals

Scope
Published by the Royal Society of Chemistry beginning in January 2009, Metallomics is a subject that is receiving great attention as a new frontier in the investigation of trace elements in biology and is expected to develop as an interdisciplinary science complementary to genomics and proteomics. This timely new journal covers the research fields related to biometals and is expected to be the core publication for the emerging metallomics community as they strive to fully understand the role of metals in biological, environmental, and clinical systems.

Topics include:
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