From owner-chemistry@ccl.net Sat Mar 5 16:28:00 2011 From: "Veer Shanmugasundaram veerabahu.shanmugasundaram=-=pfizer.com" To: CCL Subject: CCL: Call for Symposium Proposals: Spring ACS 2012 - San Diego, CA Message-Id: <-44054-110305145854-5856-lOoBmwHePe0LzTpODSHIFQ ~ server.ccl.net> X-Original-From: "Veer Shanmugasundaram" Date: Sat, 5 Mar 2011 14:58:52 -0500 Sent to CCL by: "Veer Shanmugasundaram" [veerabahu.shanmugasundaram=-=pfizer.com] Folks: The Long Range Planning Committee of the ACS COMP Division is beginning to plan for the 2012 Spring ACS National Meeting (243rd ACS National Meeting & Exposition, March 25-29, 2012, San Diego, California) This is an opportunity for COMP ACS members to propose meeting sessions of interest to you as well as to the scientific community. If you are interested in organizing a symposium at the Spring 2012 Meeting, please submit a brief 1-page proposal by Tuesday March 22, 2011 to one of the COMP Long Range Planning Committee Members. Chairing a session is a fun and rewarding experience which allows you to network with colleagues in the field. It may also be considered a development opportunity for all scientists in any organization. The proposal process includes identifying a subject area and a key speaker to provide background on the subject of interest, then recruiting a series of speakers working in the field from industry and/or academia. Please take this opportunity to participate by sending your symposium proposal along to one of us. If you have any questions, please dont hesitate to contact one of us. Sincerely, The Long Range Planning Committee ACS COMP Division Veer Shanmugasundaram, Ph.D Antibacterials Chemistry/Discovery Technologies, WorldWide Medicinal Chemistry, Pfizer PharmaTherapeutics Research & Development, Eastern Point Road, Groton, CT 06340 Tel:(860)686-9264 Email: Veerabahu.Shanmugasundaram-$-pfizer.com Kate Holloway, Ph.D Merck Research Laboratories P. O. Box 4 West Point, PA 19486 Tel: (215) 652-7425 Email: kate_holloway-$-merck.com Prof. Rommie Amaro University of California, Irvine Health Sciences/Pharm Sciences Irvine, CA 92697-3958 Tel: (949) 824-2559 Email: ramaro-$-uci.edu Emilio Xavier Esposito, Ph.D exe Research LLC 32 University Drive East Lansing, MI 48823 Tel: (517) 639-0684 Email: emilio.esposito-$-gmail.com Scott A. Wildman, Ph.D. Research Assistant Professor Biochemistry and Molecular Biophysics Cancer Research 2nd Floor Tel: 314-362-8945 Email: wildman-$-biochem.wustl.edu Melissa Landon, Ph.D. Cubist Pharmaceuticals 65 Hayden Avenue Lexington, MA, 02421 USA Email: lissland-$-gmail.com From owner-chemistry@ccl.net Sat Mar 5 17:04:00 2011 From: "Veer Shanmugasundaram veerabahu.shanmugasundaram~~pfizer.com" To: CCL Subject: CCL: Call for Abstracts: Mining Protein-Ligand Interaction Space Symposium Message-Id: <-44055-110305151330-23447-4gL6YPpNb6TV/33BvqIILA : server.ccl.net> X-Original-From: "Veer Shanmugasundaram" Date: Sat, 5 Mar 2011 15:13:27 -0500 Sent to CCL by: "Veer Shanmugasundaram" [veerabahu.shanmugasundaram:_:pfizer.com] Symposium: Mining Protein-Ligand Interaction Space Venue: 242nd American Chemical Society National Meeting, Denver, CO Dates: August 28-September 1, 2011 Protein-based target space and ligand-based chemistry space have been studied as individual entities. With the exponential growth of the Protein Data Bank (PDB) and databases like Relibase that provide additional information, it is now possible to represent, visualize and study these protein-ligand interaction spaces in novel ways. However, the wealth of information that is contained in these databases has been under-utilized. Recent publications suggest that we can use computational methods to mine the protein-ligand interaction space and enhance the information contained, in a variety of different ways. In this symposium we plan to address the following topics: 1. Creation and maintenance of protein-ligand interaction databases. Characterization of interaction spaces using descriptors such as protein-ligand interaction fingerprints or other protein-ligand descriptors. 2. Characterization of protein-ligand subspaces (such kinase interactions, aspartyl protease interactions, PDEs) and development of user-friendly/interactive tools to mine this information. 3. Mining novel interaction types in design such as cation-pi interactions, halogen bonds and bridged-water interactions and incorporation of that information in design. 4. Comparative analysis of protein-ligand interactions and application of that to scaffold hopping or hybrid design to increase potency, novelty, improve selectivity etc. We are planning to organize a mini-symposium that will bring together a diverse group of exceptional researchers and highlight state-of-the-art research efforts with an emphasis on practical applications from various laboratories in academia and industry. This symposium is sponsored by the COMP division of the American Chemical Society. If you are interested in presenting a talk relevant to this symposium, please submit an abstract for a presentation using PACS (http://abstracts.acs.org/chem/242nm/meetingview.php?page=session&par_id=268) The deadline for submitting abstracts is Monday, April 4, 2011 Thank you, Veer & MJ ---- Veer Shanmugasundaram, Ph.D Antibacterials Chemistry/Discovery Technologies, WorldWide Medicinal Chemistry, Pfizer PharmaTherapeutics Research & Development, Eastern Point Road, Groton, CT 06340 Tel:(860)686-9264 Email:Veerabahu.Shanmugasundaram|,|pfizer.com Mehran Jalaie, Ph.D Oncology Medicinal Chemistry WorldWide Medicinal Chemistry, Pfizer PharmaTherapeutics Research & Development, 10770 Science Center Drive, San Diego, CA - 92121 Tel:(858)526.4065 Email:Mehran.Jalaie|,|pfizer.com