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Journal of the American Chemical Society

Volumn 124, Issue 29, 2002, Pages 8644-8652

Fluoride-selective binding in a new deep cavity calix[4]pyrrole: Experiment and theory

(8) Woods, Christopher J a Camiolo, Salvatore a Light, Mark E a Coles, Simon J a Hursthouse, Michael B a King, Michael A b Gale, Philip A a Essex, Jonathan W a

a UNIVERSITY OF SOUTHAMPTON (United Kingdom)

b UCB PHARMA (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; BINDING ENERGY; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DERIVATIVES; ELECTROSTATICS; FLUORINE COMPOUNDS; FREE ENERGY; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; PERTURBATION TECHNIQUES; POISSON EQUATION; TITRATION; X RAY ANALYSIS;

BINDING BEHAVIOR;

AROMATIC COMPOUNDS;

CALIXARENE; CALIX[4]PYRROLE; DIMETHYL SULFOXIDE; FLUORIDE; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL BINDING; CHEMICAL INTERACTION; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENERGY TRANSFER; EXPERIMENT; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; RECEPTOR BINDING; SIMULATION; SYNTHESIS; THEORY;

EID: 0037167005 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja025572t Document Type: Article

Times cited : (130)

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