Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design

Journal of Molecular Catalysis A: Chemical

Volumn 324, Issue 1-2, 2010, Pages 146-155

  Corbeil, Christopher R ^a,b   Moitessier, Nicolas ^a  

^a MCGILL UNIVERSITY   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

ACE; Asymmetric catalysts; HTVS; Molecular mechanics; Q2MM; QM MM; QSSR; Virtual screening

Indexed keywords

CATALYSTS; COMPUTATION THEORY; HYPERSONIC AERODYNAMICS; MOLECULAR MECHANICS; QUANTUM THEORY; SYNTHESIS (CHEMICAL); THROUGHPUT;

ASYMMETRIC CATALYSTS; HTVS; Q2MM; QM/MM; QSSR; VIRTUAL SCREENING;

DESIGN;

EID: 77954176158     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2010.03.022     Document Type: Review

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