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View Entry | Computer algorithm3458| This computer algorithm plots all feasible small carbon-based molecules as though they were cities on a map and identifies huge, unexplored spaces that may help fuel research into new drug therapies.
Featured in the May 16, 2013 issue of Biomedical Beat. | | Public Note | | | | | Internal Note | | From: Peter Wipf [mailto:pwipf@pitt.edu]
Sent: Thursday, May 09, 2013 5:37 PM
To: Piergrossi, Joe (NIH/NIGMS) [C]
Subject: Re: We'd like to feature your work in an NIH research news digest
Dear Joe:
thank you for your message and your interest in our work. I suggest the following revisions:
Chemists Find a Universe of Unexplored Small Molecules
Aaron Virshup, Julia Contreras-Garcia, Peter Wipf, Weitao Yang and David Beratan ? University of Pittsburgh Center for Chemical Methodologies and Library Development
There are more unique carbon-based molecules ? the bases for most pharmaceuticals ? than there are stars in the observable universe. With such a huge number of possible molecules, it?s difficult for chemists to figure out how to select the best candidates for a new function or process in the lab. Researchers have developed a computer algorithm that may help. It plots all feasible small carbon-based molecules as though they were cities on a map and identifies huge, unexplored spaces, helping fuel future discoveries such as the creation of novel drugs and medical materials.
I realize that it might be customary for your newsletter to only list the PI of the grant, however, I feel strongly that the entire team needs to be acknowledged. Progress in modern research depends on scientists with different background working together, and this is only possible if everybody also shares in the recognition.
Please let me know if you have any questions regarding my suggested modifications. Also, I am attaching a high-resolution picture as you requested for the graphic.
with best regards,
Peter | | | Keywords | | chart | | | Source | | Aaron Virshup, Julia Contreras-Garcia, Peter Wipf, Weitao Yang and David Beratan, University of Pittsburgh Center for Chemical Methodologies and Library Development | | | Date | | 2013-05-20 00:00:00 | | | Credit Line | | Aaron Virshup, Julia Contreras-Garcia, Peter Wipf, Weitao Yang and David Beratan, University of Pittsburgh Center for Chemical Methodologies and Library Development | | | Investigator | | | | | Record Type | | Illustration | | | Topic Area(s) | | ;#Chemistry, Biochemistry, and Pharmacology;#Tools and Techniques;# | | | Previous Uses | | | | | Status | | Active | |
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