Comparing binding modes of analogous fragments using NMR in fragment-based drug design: Application to PRDX5

PLoS ONE

Volumn 9, Issue 7, 2014, Pages

  Aguirre, Clémentine ^a   Brink, Tim Ten ^a   Guichou, Jean François ^b   Cala, Olivier ^a   Krimm, Isabelle ^a  

^a UNIVERSITÉ DE LYON   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

NITROGEN 15; PEROXIREDOXIN 5; PEROXIREDOXIN; PRDX5 PROTEIN, HUMAN;

ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; BINDING KINETICS; CHEMICAL SHIFT PERTURBATION CALCULATION; CONTROLLED STUDY; DRUG DESIGN; EPITOPE MAPPING; FRAGMENT BASED DRUG DESIGN; HETERONUCLEAR SINGLE QUANTUM COHERENCE; INTERMETHOD COMPARISON; ISOTOPE LABELING; LIGAND BINDING; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MATHEMATICAL PARAMETERS; NUCLEAR MAGNETIC RESONANCE; PROCESS DESIGN; PROCESS DEVELOPMENT; PROTEIN BINDING; PROTEIN TARGETING; SATURATION TRANSFER DIFFERENCE SPECTRUM; SCREENING TEST; SYNTHESIS; X RAY CRYSTALLOGRAPHY; COMPARATIVE STUDY; HUMAN; METABOLISM; MOLECULAR DOCKING;

CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; MOLECULAR DOCKING SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEROXIREDOXINS;

EID: 84904254488     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0102300     Document Type: Article

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