Molecule-pharmacophore superpositioning and pattern matching in computational drug design.
about
Molecular docking and structure-based drug design strategiesComputational methods in drug discoveryMolecular Shape and Medicinal Chemistry: A PerspectiveExploring DNA topoisomerase I ligand space in search of novel anticancer agentsCore site-moiety maps reveal inhibitors and binding mechanisms of orthologous proteins by screening compound librariesInsights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionSoftware and resources for computational medicinal chemistryVoteDock: consensus docking method for prediction of protein-ligand interactions.Ingestion-controlling network: what's language got to do with it?Development of pharmacophore similarity-based quantitative activity hypothesis and its applicability domain: applied on a diverse data-set of HIV-1 integrase inhibitors.iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis.Pharmer: efficient and exact pharmacophore searchSmall molecule structure correctors abolish detrimental effects of apolipoprotein E4 in cultured neurons.Virtual screening and evaluation of Ketol-Acid Reducto-Isomerase (KARI) as a putative drug target for Aspergillosis.From laptop to benchtop to bedside: structure-based drug design on protein targets.In silico study and validation of phosphotransacetylase (PTA) as a putative drug target for Staphylococcus aureus by homology-based modelling and virtual screening.Gastrin-releasing peptide/neuromedin B receptor antagonists PD176252, PD168368, and related analogs are potent agonists of human formyl-peptide receptors.New in silico and conventional in vitro approaches to advance HIV drug discovery and design.In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations.Computational ligand-based rational design: Role of conformational sampling and force fields in model development.Reviewing ligand-based rational drug design: the search for an ATP synthase inhibitor.Medicinal chemistry for 2020Avalanche for shape and feature-based virtual screening with 3D alignment.ZINCPharmer: pharmacophore search of the ZINC databasePharmacophore Model Refinement for 11β-Hydroxysteroid Dehydrogenase Inhibitors: Search for Modulators of Intracellular Glucocorticoid Concentrations.In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.Novel approach for efficient pharmacophore-based virtual screening: method and applications.Identification of novel serotonin transporter compounds by virtual screening.Pharmacophore-based virtual screening: a review of recent applications.Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design.Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review.Multiple receptor-ligand based pharmacophore modeling and molecular docking to screen the selective inhibitors of matrix metalloproteinase-9 from natural products.Discovery of Sanggenon G as a natural cell-permeable small-molecular weight inhibitor of X-linked inhibitor of apoptosis protein (XIAP).Pharmacophore modeling for COX-1 and -2 inhibitors with LigandScout in comparison to Discovery Studio.Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation.Butyltin(IV) benzoates: inhibition of thioredoxin reductase, tumor cell growth inhibition, and interactions with proteins.Development of 2,3,5-triaryl-1H-pyrroles as estrogen receptor α selective ligands.Self-organizing molecular fingerprints: a ligand-based view on drug-like chemical space and off-target prediction.Homology modeling and virtual screening approaches to identify potent inhibitors of VEB-1 β-lactamaseDiscovery of the first dual inhibitor of the 5-lipoxygenase-activating protein and soluble epoxide hydrolase using pharmacophore-based virtual screening
P2860
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P2860
Molecule-pharmacophore superpositioning and pattern matching in computational drug design.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh
2007年學術文章
@zh-hant
name
Molecule-pharmacophore superpo ...... in computational drug design.
@en
Molecule-pharmacophore superpo ...... in computational drug design.
@nl
type
label
Molecule-pharmacophore superpo ...... in computational drug design.
@en
Molecule-pharmacophore superpo ...... in computational drug design.
@nl
prefLabel
Molecule-pharmacophore superpo ...... in computational drug design.
@en
Molecule-pharmacophore superpo ...... in computational drug design.
@nl
P1433
P1476
Molecule-pharmacophore superpo ...... in computational drug design.
@en
P2093
Fabian Bendix
Thomas Seidel
P356
10.1016/J.DRUDIS.2007.09.007
P577
2007-11-05T00:00:00Z