@inproceedings{4cde68da47464eecb76835fe384da9d2,
title = "Geometric manipulation of flexible ligands",
abstract = "In recent years an effort has been made to supplement traditional methods for drug discovery by computer-assisted “structure-based design.” The structure-based approach involves (among other issues) reasoning about the geometry of drug molecules (or ligands) and about the different spatial conformations that these molecules can attain. This is a preliminary report on a set of tools that we are devising to assist the chemist in the drug design process. We describe our work on the following three topics: (i) geometric data structures for representing and manipulating molecules; (ii) conformational analysis—searching for low- energy conformations; and (iii) pharmacophore identification—searching for common features among different ligands that exhibit similar activity.",
author = "Finn, {Paul W.} and Dan Halperin and Kavraki, {Lydia E.} and Latombe, {Jean Claude} and Rajeev Motwani and Christian Shelton and Suresh Venkatasubramanian",
note = "Publisher Copyright: {\textcopyright} Springer-Verlag Berlin Heidelberg 1996.; 1st ACM Workshop on Applied Computational Geometry, WACG 1996 held as part of 2nd Federated Computing Research Conference, FCRC 1996 ; Conference date: 27-05-1996 Through 28-05-1996",
year = "1996",
doi = "10.1007/bfb0014486",
language = "אנגלית",
isbn = "354061785X",
series = "Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)",
publisher = "Springer Verlag",
pages = "67--78",
editor = "Lin, {Ming C.} and Lin, {Ming C.} and Dinesh Manocha",
booktitle = "Applied Computational Geometry",
address = "גרמניה",
}