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Journal of the American Chemical Society

Volumn 124, Issue 37, 2002, Pages 11073-11084

Structure activity relationship by NMR and by computer: A comparative study

(8) Sirockin, Finton a Sich, Christian c,d Improta, Sabina c Schaefer, Michael b,e Saudek, Vladimir c Froloff, Nicolas c,f Karplus, Martin b Dejaegere, Annick a

a INSTITUT DE GÉNÉTIQUE ET DE BIOLOGIE MOLÉCULAIRE ET CELLULAIRE (France)

b UNIVERSITÉ LOUIS PASTEUR (France)

c SANOFI (France)

d VOLKSWAGEN AG (Germany)

e SYNGENTA CROP PROTECTION AG (Switzerland)

f L ORÉAL RECHERCHE (France)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS;

CHEMICAL BONDS; COMPUTATIONAL METHODS; ESTERS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

SUPRAMOLECULAR CHEMISTRY;

1 ACETYLPROLINE METHYL ESTER; 1 FORMYLPIPERIDINE; 1 PIPERIDINECARBOXAMIDE; FK 506 BINDING PROTEIN; LIGAND; PIPERIDINE DERIVATIVE; PROLINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; COMPUTER; LIGAND BINDING; MACROMOLECULE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; STRUCTURE ACTIVITY RELATION;

BINDING SITES; COMPUTER SIMULATION; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; STRUCTURE-ACTIVITY RELATIONSHIP; TACROLIMUS BINDING PROTEIN 1A; THERMODYNAMICS;

EID: 0037130695 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0265658 Document Type: Article

Times cited : (30)

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