Tuesday, May 4, 2010

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.


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.


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

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