Modern Concepts in Macromolecular Modeling (Call for Papers)

 			      Call for Papers
 		  Modern Concepts in Macromolecular Modeling
                          Pacific Symposium on Biocomputing
 			 Ritz-Carlton Kapalua, Maui, Hawaii
 				January 6-9, 1997
 Co-chairs Chairs:   Jurgen Bajorath, Bristol-Myers Squibb Research Institute
 		    Teri E. Klein, University of California, San Francisco
 The Pacific Symposium on Biocomputing (PSB-97) 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.
 We are currently soliciting manuscripts for a highly interactive workshop-like
 session "Modern Concepts in Macromolecular Modeling" and/or abstracts
 for an
 accompanying poster session. The session will assess state-of-the-art
 approaches in the area of macromolecular modeling, in particular protein
 modeling, to highlight their opportunities, caveats, and limitations.
 Contributions which introduce or illustrate novel computational methods and
 which present contemporary applications are equally encouraged.
 Scientific focal points include:
  * the development and application of various energy functions for
 	- analysis of the energetics and dynamics of macromolecular
 	  structures and their interactions
 	- protein fold recognition
 	- ab initio folding of proteins on the computer
 	- evaluation and assessment of molecular models
  * techniques to construct protein models in the presence of "twilight
 	sequence similarities such as
 	- analysis of multiple sequences and/or structures
 	- generation of sequence-structure alignments
 	- interactive or automated computer modeling programs
 Scientific context:
 While the use of predictive methods to generate and analyze three-dimensional
 models is increasing, the objectives of such modeling and the problems
 involved are changing. Classical homology modeling on the basis of significant
 sequence similarity has more or less introduced macromolecular modeling at
 times when only a rather limited number of experimentally determined protein
 structures were available. The scenario has changed dramatically. Many more
 structures have been determined, and it is a significant task in itself to
 compare, analyze, and classify these structures. It has become possible to
 study many intra- and intermolecular interactions in detail, and much effort
 is currently being spent to understand such interactions in more quantitative
 energetic terms; be it on the basis of various (free) energy calculations
 or automated docking procedures. Implications of these studies for drug or
 protein design are evident.
 Sequence databases grow at even much faster pace than structural databases,
 and this is considered a major reason for the increasing interest in modeling.
 However, popular targets of protein modeling attempts often display, if at all,
 low or barely detectable sequence similarities to known structures. In these
 cases, it is difficult to establish structural relationships, even if they
 exist, and to identify structural templates for modeling. The advent of
 inverse folding and fold recognition methods has changed the approach to some
 of these problems. Nevertheless, to apply the results of a fold recognition
 study, to generate a precise and global sequence-structure alignment, and to
 actually build a model remains difficult and still requires many subjective
 decisions. In parallel to novel structure-based or comparative approaches,
 computational ab initio folding of (small) proteins is, for the first time,
 successfully performed, albeit at still limited resolution.
 PSB '97 will publish peer-reviewed full papers in an archival proceedings.
 Each accepted paper will be allocated 12 pages in the proceedings volume.
 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.
   Due dates
   May       15, 1996	     300 word abstract to bajorath &$at$&
   June      15, 1996         Five copies of the manuscript
   August    15, 1996         Notification of accepted papers
   September 15, 1996         Accepted camera ready manuscripts
 Five copies of all full papers must be submitted to:
 	         c/o Section on Medical Informatics
 	         Stanford University Medical School, MSOB X215
 	         Stanford, CA 94305-5479  USA
 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.
   Due dates
   May       15, 1996	     300 word abstract to bajorath &$at$&
   August    15, 1996         Notification of accepted abstract/poster
   September 15, 1996         Accepted camera ready abstract
 Please send abstracts and questions regarding this session to:
 Jurgen Bajorath
 Bristol-Myers Squibb Res. Inst.
 3005 First Avenue
 Seattle, WA 98121
 bajorath &$at$&
 klein &$at$&
 Tel  (206) 727-3612
 Fax  (206) 727-3602
 For more information on the Pacific Symposium on Biocomputing, please see
 our web site at or contact:
 Ms. Sharon Surles
 PSB Coordinator
 Interactive Simulations, Inc.
 5330 Carroll Canyon Road, Suite 203
 San Diego, CA  92121
 psb &$at$&
 Phone: +1 (619) 658-9782
 FAX:   +1 (619) 658-9463