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Open Babel: An open chemical toolboxDelineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint ApproachA reliable computational workflow for the selection of optimal screening librariesEnabling large-scale design, synthesis and validation of small molecule protein-protein antagonistsGlobal analysis reveals families of chemical motifs enriched for HERG inhibitorsA Teach-Discover-Treat Application of ZincPharmer: An Online Interactive Pharmacophore Modeling and Virtual Screening ToolOpen source molecular modelingPharmit: interactive exploration of chemical spaceCSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.Computational and biophysical approaches to protein-protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex.ZINCPharmer: pharmacophore search of the ZINC databaseChoosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 ExperimentPharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database.Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3).Development and validation of an improved algorithm for overlaying flexible molecules.Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors.In-silico combinatorial design and pharmacophore modeling of potent antimalarial 4-anilinoquinolines utilizing QSAR and computed descriptors.Molden 2.0: quantum chemistry meets proteinsDrugOn: a fully integrated pharmacophore modeling and structure optimization toolkit.Multiple target-based pharmacophore design from active site structures.Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.AnchorQuery: Rapid online virtual screening for small-molecule protein-protein interaction inhibitors.Structure-based virtual screening identifies small molecule inhibitor of the profilin1-actin interaction.Computer-Aided Drug Design Methods.A rational approach to selective pharmacophore designing: an innovative strategy for specific recognition of Gsk3β.G-quadruplex virtual drug screening: A reviewPharmacophore generation and atom-based 3D-QSAR of N-iso-propyl pyrrole-based derivatives as HMG-CoA reductase inhibitors
P2860
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P2860
description
2011 nî lūn-bûn
@nan
2011 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Pharmer: efficient and exact pharmacophore search
@ast
Pharmer: efficient and exact pharmacophore search
@en
type
label
Pharmer: efficient and exact pharmacophore search
@ast
Pharmer: efficient and exact pharmacophore search
@en
prefLabel
Pharmer: efficient and exact pharmacophore search
@ast
Pharmer: efficient and exact pharmacophore search
@en
P2860
P356
P1476
Pharmer: efficient and exact pharmacophore search
@en
P2093
Carlos J Camacho
David Ryan Koes
P2860
P304
P356
10.1021/CI200097M
P577
2011-06-02T00:00:00Z