Computer-aided molecular design of asymmetric pyrazole derivatives with exceptional enantioselective recognition toward the Chiralcel OJ-H stationary phase

Journal of Chemical Information and Modeling

Volumn 52, Issue 3, 2012, Pages 649-654

  Alcaro, Stefano ^a   Bolasco, Adriana ^b   Cirilli, Roberto ^c   Ferretti, Rosella ^c   Fioravanti, Rossella ^b   Ortuso, Francesco ^a  

^a UNIVERSITY MAGNA GRAECIA OF CATANZARO   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c ISTITUTO SUPERIORE DI SANITÀ   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER AIDED DESIGN; MOLECULAR DYNAMICS;

COMPUTER AIDED MOLECULAR DESIGN; ENANTIOSELECTIVE; ENANTIOSELECTIVE RECOGNITION; PYRAZOLE DERIVATIVES; PYRAZOLES; STATIONARY PHASE; TIME SPENT;

ENANTIOSELECTIVITY;

PYRAZOLE; PYRAZOLE DERIVATIVE;

ARTICLE; CHEMISTRY; CONFORMATION; DRUG DESIGN; ENZYME SPECIFICITY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; ISOLATION AND PURIFICATION; METHODOLOGY; MOLECULAR DYNAMICS; STEREOISOMERISM; THERMODYNAMICS;

CHROMATOGRAPHY, HIGH PRESSURE LIQUID; DRUG DESIGN; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PYRAZOLES; STEREOISOMERISM; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 84859187591     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200592h     Document Type: Article

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