Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity.
about
Druggable protein interaction sites are more predisposed to surface pocket formation than the rest of the protein surfaceLIGSIFT: an open-source tool for ligand structural alignment and virtual screeningGraph-based similarity concepts in virtual screening.Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.Three-dimensional structure generators of drug-like compounds: DG-AMMOS, an open-source package.In silico and crystallographic studies identify key structural features of biliverdin IXβ reductase inhibitors having nanomolar potency.LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening.
P2860
Q34625325-2414593B-F068-4DD0-BE9A-B436FBAE43D8Q35076245-30A282CF-8AE8-403E-A267-436AA09AD996Q37859732-DE69BA51-6E6D-4070-A871-DC9CDDAF375EQ47788380-773A98DB-E688-403D-A4E7-63269205729EQ51599134-9CDDE3D5-C522-425A-B85A-44A4C51D36DBQ52682510-AB705315-A3D5-4673-A19C-2609F7235780Q52692628-98155ACF-3B3F-496E-9AAB-F9E29DC6F588
P2860
Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity.
description
2009 nî lūn-bûn
@nan
2009 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Ligand scaffold hopping combin ...... arch and molecular similarity.
@ast
Ligand scaffold hopping combin ...... arch and molecular similarity.
@en
type
label
Ligand scaffold hopping combin ...... arch and molecular similarity.
@ast
Ligand scaffold hopping combin ...... arch and molecular similarity.
@en
prefLabel
Ligand scaffold hopping combin ...... arch and molecular similarity.
@ast
Ligand scaffold hopping combin ...... arch and molecular similarity.
@en
P2093
P2860
P356
P1433
P1476
Ligand scaffold hopping combin ...... arch and molecular similarity.
@en
P2093
Flavien Quintus
Julien Grynberg
Pierre Tuffery
P2860
P2888
P356
10.1186/1471-2105-10-245
P577
2009-08-11T00:00:00Z
P5875
P6179
1026154979