about
Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases.Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningModeling enzyme-ligand binding in drug discoverySurfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of PPI InhibitorsStructure-based virtual screening for drug discovery: a problem-centric reviewFast and Accurate Modeling of Molecular Atomization Energies with Machine LearningNovel Ligands for a Purine Riboswitch Discovered by RNA-Ligand DockingApplying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsBridging the gap between clinicians and systems biologists: from network biology to translational biomedical researchReview: basics of drug development in rheumatologyUSR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniquesUltrafast shape recognition: method and applicationsBioassays to monitor Taspase1 function for the identification of pharmacogenetic inhibitorsHydrogen bonding penalty upon ligand bindingUsing functional signatures to identify repositioned drugs for breast, myelogenous leukemia and prostate cancerEnhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian modelsCovalent docking predicts substrates for haloalkanoate dehalogenase superfamily phosphatasesDiscovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivoDiscovery of novel new Delhi metallo-β-lactamases-1 inhibitors by multistep virtual screeningMachine learning assisted design of highly active peptides for drug discoveryCombining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against Mycobacterium tuberculosisPlate-based diversity subset screening generation 2: an improved paradigm for high-throughput screening of large compound filesImproving drug discovery with high-content phenotypic screens by systematic selection of reporter cell linesIdentifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics.Alchemical free energy methods for drug discovery: progress and challengesIdentification of structural features in chemicals associated with cancer drug response: a systematic data-driven analysis.Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.Exhaustive sampling of docking poses reveals binding hypotheses for propafenone type inhibitors of P-glycoprotein.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.In Silico Identification of Mimicking Molecules as Defense Inducers Triggering Jasmonic Acid Mediated Immunity against Alternaria Blight Disease in Brassica Species.PubChem3D: Diversity of shape.Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.Validating new tuberculosis computational models with public whole cell screening aerobic activity datasets.Recent trends and observations in the design of high-quality screening collections.Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design.Efficient hit-finding approaches for histone methyltransferases: the key parameters.Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery.Discovery of novel-scaffold monoamine transporter ligands via in silico screening with the S1 pocket of the serotonin transporterStrategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.
P2860
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P2860
description
2010 nî lūn-bûn
@nan
2010 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Virtual screening: an endless staircase?
@ast
Virtual screening: an endless staircase?
@en
Virtual screening: an endless staircase?
@nl
type
label
Virtual screening: an endless staircase?
@ast
Virtual screening: an endless staircase?
@en
Virtual screening: an endless staircase?
@nl
prefLabel
Virtual screening: an endless staircase?
@ast
Virtual screening: an endless staircase?
@en
Virtual screening: an endless staircase?
@nl
P3181
P356
P1476
Virtual screening: an endless staircase?
@en
P2888
P3181
P356
10.1038/NRD3139
P407
P577
2010-04-01T00:00:00Z
P6179
1014180785