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Structural model of ligand-G protein-coupled receptor (GPCR) complex based on experimental double mutant cycle data: MT7 snake toxin bound to dimeric hM1 muscarinic receptorX-ray crystallography: Assessment and validation of protein-small molecule complexes for drug discovery.Fragment screening and HIV therapeuticsMembrane protein structure determination - the next generationCrystallographic analysis reveals a novel second binding site for trimethoprim in active site double mutants of human dihydrofolate reductaseCrystal packing modifies ligand binding affinity: The case of aldose reductaseIn-plate protein crystallization, in situ ligand soaking and X-ray diffractionDiscovery of an allosteric mechanism for the regulation of HCV NS3 protein functionFragment-guided design of subnanomolar -lactamase inhibitors active in vivoDiscovery of Potent Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods and Structure-Based DesignThe Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water DynamicsUsing a Fragment-Based Approach To Target Protein-Protein InteractionsIdentifying ligand-binding hot spots in proteins using brominated fragmentsHigh-Throughput Interrogation of Ligand Binding Mode Using a Fluorescence-Based AssayParallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?Tailoring small molecules for an allosteric site on procaspase-6Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallographyKnowledge-based fragment binding predictionNovel Xylene-Linked Maltoside Amphiphiles (XMAs) for Membrane Protein StabilisationQA-RecombineIt: a server for quality assessment and recombination of protein modelsMeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlinesScreening efficient BH3-mimetics to hBcl-B by means of peptidodynmimetic method.Fragment screening of infectious disease targets in a structural genomics environmentRecent trends and observations in the design of high-quality screening collections.High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitorsDesign of a fragment library that maximally represents available chemical space.The benefits of constructing leads from fragment hits.Emerging role of surface plasmon resonance in fragment-based drug discovery.Immunosuppressive small molecule discovered by structure-based virtual screening for inhibitors of protein-protein interactions.Fragment-based drug discovery using NMR spectroscopyHTS by NMR of combinatorial libraries: a fragment-based approach to ligand discovery.Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistry.Alzheimer's disease: identification and development of β-secretase (BACE-1) binding fragments and inhibitors by dynamic ligation screening (DLS).Synergistic inhibitor binding to the papain-like protease of human SARS coronavirus: mechanistic and inhibitor design implications.Evolutions in fragment-based drug design: the deconstruction-reconstruction approachA structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR.Repositioning the substrate activity screening (SAS) approach as a fragment-based method for identification of weak binders.Hot spot analysis for driving the development of hits into leads in fragment-based drug discovery.Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods.Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors.
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 12 May 2010
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Structural biology in fragment-based drug design.
@en
Structural biology in fragment-based drug design.
@nl
type
label
Structural biology in fragment-based drug design.
@en
Structural biology in fragment-based drug design.
@nl
prefLabel
Structural biology in fragment-based drug design.
@en
Structural biology in fragment-based drug design.
@nl
P1476
Structural biology in fragment-based drug design.
@en
P2093
Christopher W Murray
P304
P356
10.1016/J.SBI.2010.04.003
P50
P577
2010-05-12T00:00:00Z