CD-sensitive Zn-porphyrin tweezer host-guest complexes, part 1: MC/OPLS-2005 computational approach for predicting preferred interporphyrin helicity

Chirality

Volumn 22, Issue 1, 2010, Pages 129-139

  Petrovic, Ana G ^a   Chen, Yihui ^a   Pescitelli, Gennaro ^b   Berova, Nina ^a   Proni, Gloria ^c  

^a Och Spine at New York Presbyterian Hospitals   (United States)

^b UNIVERSITY OF PISA   (Italy)

^c JOHN JAY COLLEGE OF CRIMINAL JUSTICE   (United States)

Author keywords

Circular dichroism; Metalloporphyrin tweezer; Optimized potential for liquid simulations (OPLS 2005); Primary secondary amines; Secondary alcohols

Indexed keywords

ALCOHOL DERIVATIVE; AMINE; INTERPORPHYRIN; PORPHYRIN; PORPHYRIN DERIVATIVE; UNCLASSIFIED DRUG; ZINC;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; CIRCULAR DICHROISM; COMPUTER MODEL; MOLECULAR MODEL; PRIORITY JOURNAL;

EID: 75449094232     PISSN: 08990042     EISSN: 1520636X     Source Type: Journal    
DOI: 10.1002/chir.20717     Document Type: Article

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