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Focusing on shared subpockets - new developments in fragment-based drug discoveryInhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibitionA Teach-Discover-Treat Application of ZincPharmer: An Online Interactive Pharmacophore Modeling and Virtual Screening ToolIdentification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual ScreeningZINC 15--Ligand Discovery for EveryonePharmit: interactive exploration of chemical spaceZika virus NS5 protein potential inhibitors: an enhanced in silico approach in drug discoveryA Discovery Strategy for Selective Inhibitors of c-Src in Complex with the Focal Adhesion Kinase SH3/SH2-binding Region.iDrug: a web-accessible and interactive drug discovery and design platform.A multi-fingerprint browser for the ZINC databaseIn silico models for predicting vector control chemicals targeting Aedes aegypti.Integrated computational tools for identification of CCR5 antagonists as potential HIV-1 entry inhibitors: homology modeling, virtual screening, molecular dynamics simulations and 3D QSAR analysis.Combining spatial and chemical information for clustering pharmacophores.Novel PDE4 inhibitors derived from Chinese medicine forsythia.Structure Guided Chemical Modifications of Propylthiouracil Reveal Novel Small Molecule Inhibitors of Cytochrome b5 Reductase 3 That Increase Nitric Oxide Bioavailability.Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agentsOptimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand ChallengeIdentification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs.Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 ExperimentScreening Identifies Thimerosal as a Selective Inhibitor of Endoplasmic Reticulum Aminopeptidase 1.Pharmacophore and Virtual Screening of JAK3 inhibitors.A study of the allosteric inhibition of HCV RNA-dependent RNA polymerase and implementing virtual screening for the selection of promising dual-site inhibitors with low resistance potential.PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database.Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.In Silico Discovery and In Vitro Validation of Catechol-Containing Sulfonohydrazide Compounds as Potent Inhibitors of the Diguanylate Cyclase PleDComputational Methods Applied to Rational Drug Design.Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors.Identification of a novel putative inhibitor of the Plasmodium falciparum purine nucleoside phosphorylase: exploring the purine salvage pathway to design new antimalarial drugs.Road Map for the Structure-Based Design of Selective Covalent HCV NS3/4A Protease Inhibitors.Screening of potential targets in Plasmodium falciparum using stage-specific metabolic network analysis.Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per-Residue Energy Contribution-Based Pharmacophore modelling.Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges.Identification of novel gyrase B inhibitors as potential anti-TB drugs: homology modelling, hybrid virtual screening and molecular dynamics simulations.Hybrid Receptor-Bound/MM-GBSA-Per-residue Energy-Based Pharmacophore Modelling: Enhanced Approach for Identification of Selective LTA4H Inhibitors as Potential Anti-inflammatory Drugs.Virtual screening and statistical analysis in the design of new caffeine analogues molecules with potential epithelial anticancer activity.An Integrated Computational Approach for Plant-Based Protein Tyrosine Phosphatase Non-Receptor Type 1 Inhibitors.Targeting SxIP-EB1 interaction: An integrated approach to the discovery of small molecule modulators of dynamic binding sites.Repurposing and Reformulation of the Antiparasitic Agent Flubendazole for Treatment of Cryptococcal Meningoencephalitis, a Neglected Fungal Disease.Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies.Better agonist for the opioid receptors.
P2860
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P2860
description
2012 nî lūn-bûn
@nan
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
2012年论文
@zh
2012年论文
@zh-cn
name
ZINCPharmer: pharmacophore search of the ZINC database
@ast
ZINCPharmer: pharmacophore search of the ZINC database
@en
type
label
ZINCPharmer: pharmacophore search of the ZINC database
@ast
ZINCPharmer: pharmacophore search of the ZINC database
@en
prefLabel
ZINCPharmer: pharmacophore search of the ZINC database
@ast
ZINCPharmer: pharmacophore search of the ZINC database
@en
P2860
P356
P1476
ZINCPharmer: pharmacophore search of the ZINC database
@en
P2093
Carlos J Camacho
David Ryan Koes
P2860
P304
P356
10.1093/NAR/GKS378
P407
P433
Web Server issue
P577
2012-05-02T00:00:00Z