Validation of reactivity descriptors to assess the aromatic stacking within the tyrosine gate of FimH

ACS Medicinal Chemistry Letters

Volumn 4, Issue 11, 2013, Pages 1085-1090

  Roos, Goedele ^a,b   Wellens, Adinda ^a   Touaibia, Mohamed ^c,d   Yamakawa, Nao ^e   Geerlings, Paul ^a   Roy, René ^c   Wyns, Lode ^a   Bouckaert, Julie ^a,e  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b Brussels Center for Redox Biology   (Belgium)

^c UNIVERSITÉ DU QUÉBEC À MONTRÉAL   (Canada)

^d UNIVERSITÉ DE MONCTON   (Canada)

^e UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

dispersion energy; electron distribution; FimH; local hardness; polarizability; stacking

Indexed keywords

ADHESIN; FIMH ADHESIN; TYROSINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CONFORMATION; CRYSTAL STRUCTURE; CRYSTALLIZATION; DISPERSION; ELECTRON; HARDNESS; HYDROGEN BOND; LIGAND BINDING; NONHUMAN; PRIORITY JOURNAL; QUANTUM CHEMISTRY; VALIDATION STUDY;

EID: 84887901338     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml400269v     Document Type: Article

References (12)

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