Structure-based virtual screening: an overview Export

@article{citeulike:519528, abstract = {Enormous advances in genomics have resulted in a large increase in the number of potential therapeutic targets that are available for investigation. This growth in potential targets has increased the demand for reliable target validation, as well as technologies that can identify rapidly several quality lead candidates. Virtual screening, and in particular receptor-based virtual screening, has emerged as a reliable, inexpensive method for identifying leads. Although still an evolving method, advances in computational techniques have enabled virtual screening to have a positive impact on the discovery process. Here, the current strengths and weaknesses of the technology are discussed, and emphasis is placed on aspects of the work-flow of a virtual screening campaign, from preparation through to post-screening analysis.}, author = {Lyne, Paul D.}, citeulike-article-id = {519528}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/S1359-6446(02)02483-2}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/S1359-6446(02)02483-2}, citeulike-linkout-2 = {http://www.sciencedirect.com/science/article/B6T64-46WWBJ9-D/2/9199cd5c40a2b43b527684348d4b6838}, day = {15}, doi = {10.1016/S1359-6446(02)02483-2}, journal = {Drug Discovery Today}, keywords = {cadd, docking, protein-ligand, review, virtual-screening}, month = {October}, number = {20}, pages = {1047--1055}, posted-at = {2006-02-23 21:55:26}, priority = {2}, title = {Structure-based virtual screening: an overview}, url = {http://dx.doi.org/10.1016/S1359-6446(02)02483-2}, volume = {7}, year = {2002} }

TY - JOUR ID - citeulike:519528 L3 - citeulike-article-id:519528 N2 - Enormous advances in genomics have resulted in a large increase in the number of potential therapeutic targets that are available for investigation. This growth in potential targets has increased the demand for reliable target validation, as well as technologies that can identify rapidly several quality lead candidates. Virtual screening, and in particular receptor-based virtual screening, has emerged as a reliable, inexpensive method for identifying leads. Although still an evolving method, advances in computational techniques have enabled virtual screening to have a positive impact on the discovery process. Here, the current strengths and weaknesses of the technology are discussed, and emphasis is placed on aspects of the work-flow of a virtual screening campaign, from preparation through to post-screening analysis. IS - 20 JF - Drug Discovery Today EP - 1055 TI - Structure-based virtual screening: an overview VL - 7 SP - 1047 KW - cadd KW - docking KW - protein-ligand KW - review KW - virtual-screening AU - Lyne, Paul PY - 2002/10/15/ UR - http://dx.doi.org/10.1016/S1359-6446(02)02483-2 ER -