Conformational effects on the pro-s hydrogen abstraction reaction in Cyclooxygenase-1: An integrated QM/MM and MD study

Biophysical Journal

Volumn 104, Issue 5, 2013, Pages L5-L7

  Christov, Christo Z ^a,b   Lodola, Alessio ^c   Karabencheva Christova, Tatyana G ^a,b   Wan, Shunzhou ^d   Coveney, Peter V ^d   Mulholland, Adrian J ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b NORTHUMBRIA UNIVERSITY   (United Kingdom)

^c UNIVERSITY OF PARMA   (Italy)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARACHIDONIC ACID; CYCLOOXYGENASE 1; HYDROGEN; TYROSINE;

AMINO ACID SEQUENCE; ANIMAL; CHEMISTRY; HUMAN; LETTER; MECHANICS; MOLECULAR DYNAMICS; MOLECULAR GENETICS; PROTEIN CONFORMATION; QUANTUM THEORY;

AMINO ACID SEQUENCE; ANIMALS; ARACHIDONIC ACID; CHEMISTRY; CYCLOOXYGENASE 1; HUMANS; HYDROGEN; MECHANICS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; QUANTUM THEORY; TYROSINE;

EID: 84874871816     PISSN: 00063495     EISSN: 15420086     Source Type: Journal    
DOI: 10.1016/j.bpj.2013.01.040     Document Type: Article

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