ZINCPharmer: pharmacophore search of the ZINC database

scientific article

ZINCPharmer: pharmacophore search of the ZINC database is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/nar/KoesC12a
P356DOI10.1093/NAR/GKS378
P932PMC publication ID3394271
P698PubMed publication ID22553363
P5875ResearchGate publication ID224889091

P2093author name stringCarlos J Camacho
David Ryan Koes
P2860cites workA common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.Q51919227
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.Q51936967
A web-based 3D-database pharmacophore searching tool for drug discoveryQ77814709
Open Babel: An open chemical toolboxQ21198766
ZINC--a free database of commercially available compounds for virtual screeningQ27656255
3-D pharmacophores in drug discoveryQ30670909
Chemical feature-based pharmacophores and virtual library screening for discovery of new leads.Q30780748
Library design and virtual screening using multiple 4-point pharmacophore fingerprintsQ30886512
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filtersQ31143138
EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilitiesQ33738554
Pharmer: efficient and exact pharmacophore searchQ33909006
Swimming into peptidomimetic chemical space using pepMMsMIMIC.Q33915436
PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approachQ33957682
Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structureQ34115282
Molecular properties that influence the oral bioavailability of drug candidatesQ34130727
Maximum common subgraph isomorphism algorithms for the matching of chemical structuresQ35037939
Why do we need so many chemical similarity search methods?Q35053182
PharmaGist: a webserver for ligand-based pharmacophore detectionQ36749332
Molecule-pharmacophore superpositioning and pattern matching in computational drug designQ37055387
Three-dimensional pharmacophore methods in drug discoveryQ37615315
One concept, three implementations of 3D pharmacophore-based virtual screening: distinct coverage of chemical search spaceQ43469957
Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformationsQ45166891
P275copyright licenseCreative Commons Attribution-NonCommercial 3.0 UnportedQ18810331
P6216copyright statuscopyrightedQ50423863
P433issueWeb Server issue
P407language of work or nameEnglishQ1860
P921main subjectdatabaseQ8513
ZINC databaseQ8063109
P304page(s)W409-14
P577publication date2012-05-02
P1433published inNucleic Acids ResearchQ135122
P1476titleZINCPharmer: pharmacophore search of the ZINC database
P478volume40

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