about
Structure-based activity prediction for an enzyme of unknown functionAutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibilityBenchmarking sets for molecular dockingREPLACE: a strategy for iterative design of cyclin-binding groove inhibitors.Q-Dock(LHM): Low-resolution refinement for ligand comparative modeling.Structure-based substrate screening for an enzyme.Evaluating docking methods for prediction of binding affinities of small molecules to the G protein betagamma subunitsRORα and ROR γ are expressed in human skin and serve as receptors for endogenously produced noncalcemic 20-hydroxy- and 20,23-dihydroxyvitamin D.PubChem3D: a new resource for scientistsFrom laptop to benchtop to bedside: structure-based drug design on protein targets.Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1BRetrieving novel C5aR antagonists using a hybrid ligand-based virtual screening protocol based on SVM classification and pharmacophore models.Virtual Screening with AutoDock: Theory and Practice.TarFisDock: a web server for identifying drug targets with docking approach.Multipose binding in molecular docking.P-glycoprotein induction in Caco-2 cells by newly synthetized thioxanthones prevents paraquat cytotoxicity.Thiazolidinedione-based PI3Kα inhibitors: an analysis of biochemical and virtual screening methods.CrossDocker: a tool for performing cross-docking using Autodock Vina.Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach.Redesign of a cross-reactive antibody to dengue virus with broad-spectrum activity and increased in vivo potency.Lead identification for the K-Ras protein: virtual screening and combinatorial fragment-based approachesTowards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.Differences between high- and low-affinity complexes of enzymes and nonenzymes.Identification and validation of human DNA ligase inhibitors using computer-aided drug design.Cholinesterase inhibitory, anti-amyloidogenic and neuroprotective effect of the medicinal plant Grewia tiliaefolia - An in vitro and in silico study.Computational Methods Applied to Rational Drug Design.State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.Isolation and characterization of bioactive compounds of Clematis gouriana Roxb. ex DC against snake venom phospholipase A2 (PLA2) computational and in vitro insights.Weighted equation and rules--a novel concept for evaluating protein-ligand interaction.A flexible docking scheme to explore the binding selectivity of PDZ domains.A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbations.Site-specific basicities regulate molecular recognition in receptor binding: in silico docking of thyroid hormones.A novel view of modelling interactions between synthetic and biological polymers via docking.Intuitive, but not simple: including explicit water molecules in protein-protein docking simulations improves model quality.Computer aided drug design and its application to the development of potential drugs for neurodegenerative disorders.Structure- and ligand-based drug design of novel p38-alpha MAPK inhibitors in the fight against the Alzheimer's disease.A fragment-based docking simulation for investigating peptide-protein bindings.Modeling loop backbone flexibility in receptor-ligand docking simulations.Improving Docking Performance Using Negative Image-Based Rescoring.Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes.
P2860
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P2860
description
2005 nî lūn-bûn
@nan
2005 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Docking: successes and challenges.
@ast
Docking: successes and challenges.
@en
type
label
Docking: successes and challenges.
@ast
Docking: successes and challenges.
@en
prefLabel
Docking: successes and challenges.
@ast
Docking: successes and challenges.
@en
P2093
P356
P1476
Docking: successes and challenges.
@en
P2093
Edward P Jaeger
Maxwell D Cummings
Renee L DesJarlais
Venkatraman Mohan
P304
P356
10.2174/1381612053382106
P50
P577
2005-01-01T00:00:00Z