Calculation of strong and weak interactions in TDA1 and RangDP52 by the kernel energy method

Proceedings of the National Academy of Sciences of the United States of America

Volumn 106, Issue 10, 2009, Pages 3664-3669

  Huang, Lulu ^a   Massa, Lou ^b   Karle, Isabella ^a   Karle, Jerome ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

CH O bonds; Cooperativity of bonds; Cysteine macrocycles; NH CO bonds; NH S

Indexed keywords

CYSTEINE; MACROCYCLIC COMPOUND;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; HYDROGEN BOND; KERNEL METHOD; MATHEMATICAL MODEL; PRIORITY JOURNAL; QUANTUM MECHANICS; X RAY CRYSTALLOGRAPHY;

EID: 62649099633     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0900403106     Document Type: Article

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