Structure Based Drug Discovery

You know the name of a compound, say methylenedioxy, but do not know the structure of it. One of the easiest online way is to search for compound name in http://www.acdlabs.com/iupac/nomenclature/#search

Search for methylenedioxy resulted in following output:

A cyclic acetal in which the two acetal-oxygen atoms form part of a ring may be named: (a) as a heterocyclic compound; (b) by use of the prefix "methylenedioxy-" for the group as a substituent in the remainder of the molecule, derivatives of the methylenedioxy group being named as substitution products thereof; or (c) particularly when stereochemistry is implied in the name of the corresponding alcohol or ketone, as the alkylene or alkylidene derivative of that alcohol or as the alkylene or alkylidene acetal of that ketone.

Homology Modeling: Concepts and Protocols

2005-09-13T22:38:00.000-07:00

A nice notes about Homology modelling

http://ncisgi.ncifcrf.gov/~ravichas/HomMod/

Scientific Search Engines

2005-08-18T00:20:00.000-07:00

1) PubMed

http://pubmed.gov/
PubMed is a service of the National Library of Medicine that includes over 15 million citations from MEDLINE and other life science journals for biomedical articles back to the 1950s. PubMed includes links to full text articles and other related resources.

2) Google Scholar

http://scholar.google.com/
Searches for scholarly literature, including peer-reviewed papers, theses, books, preprints, abstracts and technical reports from all broad areas of research.

3) Scirus

http://www.scirus.com/srsapp/
Scirus is the most comprehensive science-specific search engine on the Internet. Driven by the latest search engine technology, Scirus searches over 200 million science-specific Web pages.

4) HighWire Press

http://highwire.stanford.edu/
HighWire Press is a division of the Stanford University Libraries, which produces the online versions of high-impact, peer-reviewed journals and other scholarly content. Recipient of the 2003 ALPSP Award for "Service to Not-for-Profit Publishing", HighWire partners with influential scholarly societies, university presses and publishers to create a collection of the finest, fully searchable research and clinical literature online. Together, these partners produce nearly half of the 200 most-frequently-cited journals publishing in science.

bioinformatics links

2005-08-16T05:18:00.000-07:00

Interesting compchem links:

Sybyl, CANT_GET_LOCK error MDB

2005-08-16T02:48:00.000-07:00

If the machine is on a network and has only the NFS client operating system software installed (i.e., not the NFS server software as well), a SYBYL session running on that machine will fail to open databases residing on NFS mounted disks connected to a remote machine. When a database is tried to open one wll encounter CANT_GET_LOCK error.

Installing NFS server operating system software may fixe the problem. This problem does not occur if the machine is completely stand-alone or the NFS server operating system software is installed.

SBDD

2005-08-12T11:47:00.000-07:00

Structure
Based
Drug
Discovery

Interesting links:
http://www.chem.ucsb.edu/~kalju/library/lib_drugs.html
http://www.chemquest.uk.com/AIDS_success.html
http://rmcbiosciences.blogspot.com/