数据库名称：DiSCuS
数据库简述：
所属国家/地区：Poland
数据库主要信息：DiSCuS, a “Database System for Compound Selection”, has been developed. The primary goal of DiSCuS is to aid researchers in the steps subsequent to generating high-throughput virtual screening (HTVS) results, such as selection of compounds for further study, purchase, or synthesis. To do so, DiSCuS provides (1) a storage facility for ligand-receptor complexes (generated with external programs), (2) a number of tools for validating these complexes, such as scoring functions, potential energy contributions, and med-chem features with ligand similarity estimates, and (3) powerful searching and filtering options with logical operators. DiSCuS supports multiple receptor targets for a single ligand, so it can be used either to evaluate different variants of an active site or for selectivity studies. DiSCuS documentation, installation instructions, and source code can be found at http://discus.ibb.waw.pl .
建立年份：2014
联系信息：Contact information
University/Institution:
University of Warsaw
Address:
Department of Plant Molecular Biology, Institute of Experimental Plant Biology and Biotechnology, University of Warsaw, Miecznikowa 1, 02-096 Warsaw, Poland
City:
Province/State:
Country/Region:
Poland
Contact name (PI/Team):
Paweł Siedlecki
Contact email (PI/Helpdesk):
pawel@ibb.waw.pl
