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Authors: | Samarjit Chakraborty, Somenath Biswas |
Group: | Computer Engineering |
Type: | Techreport |
Title: | Approximation Algorithms for 3-D Common Substructure Identification in Drug and Protein Molecules |
Year: | 1999 |
Month: | February |
Pub-Key: | CB99a |
Keywords: | Computational Geometry, Point Set Pattern Matching, Approximation Algorithms, Drug Design, 3-D Common Substructure Identification |
Rep Nbr: | 69 |
Institution: | Computer Engineering and Networks Lab (TIK), Swiss Federal Institute of Technology (ETH) Zurich |
Abstract: | Identifying the common 3-D substructure in two drug or protein molecules is an important problem in synthetic drug design and molecular biology. This problem can be represented by the following geometric pattern matching problem : given two point sets $A$ and $B$ in three-dimensions, and a real number $epsilon > 0$, find the maximum cardinality subset $S subseteq A$ for which there is an isometry $ |
Resources: | [BibTeX] [Paper as PDF] |