proclus : Michael L. Love: Bisphenol Molecules Structural Archive and Gallery

Michael L. Love: Bisphenol Molecules Structural Archive and Gallery

I have automated the process to make molecule galleries, which I am finding very useful to my research, so I thought that I would share the opportunity and take requests. It is quick and easy.  For example, I did a bisphenol search, and as I expected, the search turned up a few stilbenes, which is the same molecular family as resveratrol. Here is a link to one of our resveratrol galleries. Suprisingly, it also turned up some DDT-like molecules, which possibly indicates the care which must be exercised when using this class of molecules. For example, Bisphenol A is a noted teratogen, which demonstrates the caution which must be exercised when using such molecules during pregnancy, nursing, and development. Here is a link to the bisphenol gallery. http://molecules.gnu-darwin.org/mod/Bisphenol-more.html If you would find it useful, I am definitely interested in taking requests for molecule galleries.  Be sure to check in the search box and mod directory, because we already have thousands of galleries, and thousands more are in the pipe now. Anyway, just send me the name of your favorite molecule. As you may be able to tell, we have access for galleries to about 1% or 0.5 million structures, in the total archive thus far, but it is already quite useful. The automated jobs are underway to fill in the rest. The next milestone is the capability to index and make galleries for the remaining millions of molecules for which we have pdb files already, which would be 5-10% complete. As always, comments or suggestions are certainly welcome, and please feel free to pass along this info as you like. Regards, -- Michael L. Love Ph.D Department of Biophysics and Biophysical Chemistry School of Medicine Johns Hopkins University 725 N. Wolfe Street Room 608B WBSB Baltimore MD 21205-2185 Interoffice Mail: 608B WBSB, SoM office: 410-614-2267 lab: 410-614-3179 fax: 410-502-6910 cell: 443-824-3451 http://www.gnu-darwin.org/ Visit proclus realm! http://proclus.tripod.com/ -----BEGIN GEEK CODE BLOCK----- Version: 3.1 GMU/S d+@ s: a+ C++++ UBULI++++$ P+ L+++(++++) E--- W++ N- !o K- w--- !O M++@ V-- PS+++ PE Y+ PGP-- t+++(+) 5+++ X+ R tv-(--)@ b !DI D- G e++++ h--- r+++ y++++ ------END GEEK CODE BLOCK------

The blog   Michael L. Love: Parsley recipe Michael L. Love: polyphenols and stable free radicals Michael L. Love: some bio info, blog links, plus some molecules site news Michael L. Love: USDA Database for the Flavonoid Content Michael L. Love: recipe; flax oil, tyrosol lignans update Michael L. Love: rutabagas odyssey Michael L. Love: polyphenols, first round results Michael L. Love: Tryosol Lignins Michael L. Love: Bisphenol Molecules Structural Archive and Gallery Michael L. Love: Nano baby doll house music maker Michael L. Love: Molecules Activism on Vitacost: Thai Black Rice update Michael L. Love: Antifungal nasal spray Michael L. Love: Merry Christmas Vitacost Community! Michael L. Love: more on the polyphenol story Michael L. Love: Seafood notes Michael L. Love: Polyphenols, etc Michael L. Love: Linus Pauling Michael L. Love: First entry Follow Michael L. Love: on Google Buzz

Published Friday, January 01, 2010 02:58 PM by proclus

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