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Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approachThe impact of GPCR structures on pharmacology and structure-based drug designDruggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe MoleculesSynthesis and evaluation of a series of heterobiarylamides that are centrally penetrant metabotropic glutamate receptor 4 (mGluR4) positive allosteric modulators (PAMs)Process of Fragment-Based Lead Discovery-A Perspective from NMRCharting a Path to Success in Virtual ScreeningHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisThe ChEMBL bioactivity database: an updateBadapple: promiscuity patterns from noisy evidence.Discovery of a Non-Peptidic Inhibitor of West Nile Virus NS3 Protease by High-Throughput DockingStructure-assisted discovery of an aminothiazole derivative as a lead molecule for inhibition of bacterial fatty-acid synthesisMinimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase InhibitorsStructure-Based Dissection of the Natural Product Cyclopentapeptide Chitinase Inhibitor ArgifinA Dominant Conformational Role for Amino Acid Diversity in Minimalist Protein–Protein InterfacesCrystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGTA Structure-Based Approach to Ligand Discovery for 2 C -Methyl- d -erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy †One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual ScreeningThermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitorsStructural Studies of Pterin-Based Inhibitors of Dihydropteroate SynthaseScreening-based discovery of drug-likeO-GlcNAcase inhibitor scaffoldsFragment-based lead discovery: screening and optimizing fragments for thermolysin inhibitionFragment-Based Screen against HIV ProteaseAminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural CharacterizationAcetazolamide-based fungal chitinase inhibitorsReverse type I inhibitor of Mycobacterium tuberculosis CYP125A1Natural Product–Guided Discovery of a Fungal Chitinase InhibitorStructure of trans -Resveratrol in Complex with the Cardiac Regulatory Protein Troponin CFragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosisNovel isoquinolone PDK1 inhibitors discovered through fragment-based lead discoveryStructural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.Dihydroquinazolines as a Novel Class of Trypanosoma brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of their Binding Mode by Protein CrystallographyIdentification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived HitDissecting Fragment-Based Lead Discovery at the von Hippel-Lindau Protein:Hypoxia Inducible Factor 1α Protein-Protein InterfaceStructural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme FamilyDiscovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV)Structure-Guided Evolution of Potent and Selective CHK1 Inhibitors through Scaffold MorphingDetecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment ScreeningUsing a Fragment-Based Approach To Target Protein-Protein InteractionsDiscovery of a Novel Class of Orally Active Trypanocidal N -Myristoyltransferase Inhibitors
P2860
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P2860
description
2004 nî lūn-bûn
@nan
2004 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Ligand efficiency: a useful metric for lead selection
@ast
Ligand efficiency: a useful metric for lead selection
@en
type
label
Ligand efficiency: a useful metric for lead selection
@ast
Ligand efficiency: a useful metric for lead selection
@en
prefLabel
Ligand efficiency: a useful metric for lead selection
@ast
Ligand efficiency: a useful metric for lead selection
@en
P3181
P1433
P1476
Ligand efficiency: a useful metric for lead selection
@en
P2093
Alexander Alex
P304
P3181
P356
10.1016/S1359-6446(04)03069-7
P407
P577
2004-05-01T00:00:00Z