USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
about
Three-dimensional compound comparison methods and their application in drug discoveryStereoselective virtual screening of the ZINC database using atom pair 3D-fingerprintsA fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pocketsUSR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniquesUFSRAT: Ultra-fast Shape Recognition with Atom Types--the discovery of novel bioactive small molecular scaffolds for FKBP12 and 11βHSD1Open source molecular modelingShape-based virtual screening with volumetric aligned molecular shapesFocused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Fragment oriented molecular shapesDeCAF-Discrimination, Comparison, Alignment Tool for 2D PHarmacophores.CREDO: a structural interactomics database for drug discovery.A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation.The identification of new ATAD2 bromodomain inhibitors: the application of combined ligand and structure-based virtual screening.A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc03115j.Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
P2860
Q26801796-727A4E6F-A058-49FB-B585-537AD73E526CQ27902356-72CA048A-3060-43F5-9720-E7FE9815C911Q27902362-E6972439-4616-4BB7-BDD9-1CA83EB8DA4AQ28275104-960B6073-E853-4489-B01B-77792559CCF7Q28543249-4839017B-F913-4528-B9C6-0D8EF4C6C89BQ28598346-305D5126-D85F-419D-9152-66C91F1B94DCQ34076210-79EC5F6B-05D2-41C1-8D8B-8F6B64AB3768Q35158672-418462F3-CE2E-41AB-A460-971043D7173CQ36889078-E839218E-A47F-4FBB-9B9D-289C0BD6EE11Q38430057-276C7D07-93A6-4039-9F99-FA68F57E112CQ42119055-E85F0492-9C41-4896-8DF6-0C95E06BA12BQ42318149-3EE16D9B-6468-4434-A909-8180182FEC97Q49483734-992C75EB-400B-473E-9026-93511451263CQ55098311-0FE16B61-458E-482F-B285-4D7F599A806BQ56700832-0ED061DF-8D5D-4876-AA33-34FCCBC32A69
P2860
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
description
2012 nî lūn-bûn
@nan
2012 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@ast
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@en
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@nl
type
label
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@ast
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@en
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@nl
prefLabel
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@ast
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@en
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@nl
P2860
P356
P1476
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
@en
P2860
P2888
P356
10.1186/1758-2946-4-27
P577
2012-11-06T00:00:00Z
P5875
P6179
1003217544