Call For Papers, Abstracts and Demonstrations

Computer-Aided Drug Discovery:
From Target Proteins to Drug Candidates

Pacific Symposium on Biocomputing

Mauni Lani, Big Island, Hawaii - January 4-9, 1999

Jiri Novotny, Bristol-Myers Squibb, Princeton
Terry P. Lybrand, University of Washington, Seattle
Teri E. Klein, University of California, San Francisco
Jurgen Bajorath,, MDS Panlabs and University of Washington, Seattle.

We are currently soliciting manuscripts on Computer-Aided Drug Discovery: From Target Proteins to Drug Candidates for the Pacific Symposium on Biocomputing (PSB-99). PSB is an international, multidisciplinary conference for the presentation and discussion of current research in the theory and application of computational methods in problems of biological significance.

The rapid progress in understanding macromolecular (e.g., protein/ligand) interactions at the atomic level of detail makes it possible to design ligands and inhibitors with desired specficities. This track in part focuses on biophysical concepts, algorithms and software tools aimed at quantitative understanding and predicting protein-ligand interactions, applicable to drug discovery efforts.

We will cover the discovery process which starts with the analysis of binding sites and protein-ligand interactions and ends with the identification of suitable chemical leads. Critical steps of this process are:

  1. Computer-aided identification, characterization, and comparative analysis of binding sites in target proteins.
  2. Development of pharmacophores based on ligand and/or receptor structures.
  3. Analysis and prediction of protein-ligand complexes: database searching, docking, and design.
  4. Quantitative assessment of binding interactions: free energy calculations and scoring functions.

The track provides a forum for contributions covering the above, and other relevant aspects of structure-based drug discovery as well. We encourage the submission of full papers and poster abstracts. In addition to paper presentations, the track will include a panel session bringing together leading scientists of the field.

PSB-99 will publish peer-reviewed full papers in an archival proceedings. Manuscripts adhering to the guidelines set forth on the the PSB web pages will be accepted. Full papers must not have been previously presented or published, nor currently submitted for journal publication. Once accepted to the conference, a paper may be submitted for journal publication. Each manuscript will be refereed by at least four reviewers. Authors who do not wish to submit a full paper are welcome to submit 1-2 page abstract adhering to the guidelines set forth on the PSB web pages, which will be distributed at the meeting separately from the archival proceedings.

The deadline for paper submission is July 13, 1998. Abstracts may be submitted until October 1. Paper decisions will be announced August 24.

Submission information

For physical submission, please send five copies of your paper to:
c/o Russ B. Altman
Section on Medical Informatics
Stanford, CA, USA 94305-5479
(415) 725-0659

Electronic submission of papers and abstracts is encouraged. Contact Dr. Altman at for information about electronic submission.

We prefer that all one page abstracts are submitted electronically. Please send them to us in plain ascii text or as a Microsoft Word file. If this is impossible, please contact Teri Klein at

Session contact information:

J. Novotny
Department of Macromolecular Structure
Bristol-Myers Squibb Research Institute
Princeton NJ 08543-4000
Tel (609) 252-6209
Fax (609) 252-6030

Terry Lybrand
Univ. of Washington, Box 351750
Phone: (206)-685-1515 (office); (206)-685-1512 (lab)

Teri Klein
Phone: (415) 476-0663

Jurgen Bajorath
MDS Panlabs
Computational Chemistry & Informatics
Tel (425) 487-8297

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