Identifying Interactions that Determine Fragment Binding at Protein Hotspots

Journal of Medicinal Chemistry

Volumn 59, Issue 9, 2016, Pages 4314-4325

  Radoux, Chris J ^a,d   Olsson, Tjelvar S G ^a,b   Pitt, Will R ^c   Groom, Colin R ^a   Blundell, Tom L ^d  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b JOHN INNES CENTRE   (United Kingdom)

^c UCB Celltech   (United Kingdom)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

PANTOTHENATE SYNTHETASE; PROTEIN KINASE B; SYNTHETASE; UNCLASSIFIED DRUG; LIGAND; PEPTIDE SYNTHASE; PROTEIN; PROTEIN BINDING;

ARTICLE; ATOMIC HOTSPOT METHOD; BINDING SITE; CONFORMATIONAL TRANSITION; CONSENSUS SITE METHOD; CRYSTAL STRUCTURE; CRYSTALLIZATION; DRUG DESIGN; HYDROGEN BOND; HYDROPHOBICITY; IC50; LIGAND BINDING; MIXED SOLVENT MOLECULAR DYNAMICS; MOLECULAR DYNAMICS; MOLECULAR PROBE; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTON TRANSPORT; STRUCTURE ACTIVITY RELATION; WATER SITE METHOD; X RAY CRYSTALLOGRAPHY; CHEMISTRY;

BINDING SITES; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PEPTIDE SYNTHASES; PROTEIN BINDING; PROTEINS; PROTO-ONCOGENE PROTEINS C-AKT;

EID: 84969497984     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.5b01980     Document Type: Article

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