@inproceedings{250560beb233439684f47c855eb5f026,
title = "Efficient unbound docking of rigid molecules",
abstract = "We present a new algorithm for unbound (real life) docking of molecules, whether protein–protein or protein-drug. The algorithm carries out rigid docking, with surface variability/flexibility implicitly addressed through liberal intermolecular penetration. The high efficiency of the algorithm is the outcome of several factors: (i) focusing initial molecular surface fitting on localized, curvature based surface patches; (ii) use of Geometric Hashing and Pose Clustering for initial transformation detection; (iii) accurate computation of shape complementarity utilizing the Distance Transform; (iv) efficient steric clash detection and geometric fit scoring based on a multi-resolution shape representation; and (v) utilization of biological information by focusing on hot spot rich surface patches. The algorithm has been implemented and applied to a large number of cases.",
author = "Dina Duhovny and Ruth Nussinov and Wolfson, {Haim J.}",
note = "Publisher Copyright: {\textcopyright} Springer-Verlag Berlin Heidelberg 2002.; 2nd International Workshop on Algorithms in Bioinformatics, WABI 2002 ; Conference date: 17-09-2002 Through 21-09-2002",
year = "2002",
doi = "10.1007/3-540-45784-4_14",
language = "אנגלית",
isbn = "3540442111",
series = "Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)",
publisher = "Springer Verlag",
pages = "185--200",
editor = "Roderic Guigo and Dan Gusfield",
booktitle = "Algorithms in Bioinformatics - 2nd International Workshop,WABI 2002, Proceedings",
}