Springer Science & Business Media, Jun 25, 2003 - Computers - 157 pages
The papers collected in this volume reproduce contributions by leading sch- arstoaninternationalschoolandworkshopwhichwasorganizedandheldwith thegoaloftakinga snapshotofadiscipline undertumultuous growth. Indeed, the area of protein folding, docking and alignment is developing in response to needs for a mix of heterogeneous expertise spanning biology, chemistry, mathematics, computer science, and statistics, among others. Some of the problems encountered in this area are not only important for the scienti?c challenges they pose, but also for the opportunities they disclose intermsofmedicalandindustrialexploitation. Atypicalexampleiso?eredby protein-drug interaction (docking), a problem posing daunting computational problems at the crossroads of geometry, physics and chemistry, and, at the same time, a problem with unimaginable implications for the pharmacopoeia of the future. The schoolfocused on problems posed by the study of the mechanisms - hind protein folding, and explored di?erent ways of attacking these problems under objective evaluations of the methods. Together with a relatively small core of consolidated knowledge and tools, important re?ections were brought to this e?ort by studies in a multitude of directions and approaches. It is obviously impossible to predict which, if any, among these techniques will prove completely successful, but it is precisely the implicit dialectic among them that best conveys the current ?avor of the ?eld. Such unique diversity and richness inspired the format of the meeting, and also explains the slight departure of the present volume from the typical format in this series: the exposition of the current sediment is complemented here by a selection of quali?ed specialized contributions.
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3D structure algorithm amino acids angles applications approach atoms Bioinformatics Biol biological bond CAFASP chain clustering complexity Computer Vision conformations contact map coordinates corresponding database decoys defined detection determined docking energy function flexible frame Frenet frame Geometric Hashing given globin graph Guerra H. J. Wolfson Hausdorff distance heuristic hinge homologous Hough transform identify interaction iteration LNAI matrix maximal MaxSub method molecular surface molecules nodes number of points Nussinov obtained optimal pairwise parameter space patches pattern plane problem procedure Proceedings Protein Data Bank protein folding protein sequences protein structural alignment Protein Structure Analysis protein structure prediction quaternion recognition regions represent representation residues rigid body rigid transformation RMSD rotation and translation SCOP score function secondary structures segments sequence alignment shape solution struc structural alignment structural similarity structure prediction subset target techniques tion ture vectors Z-scores