Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: A QM/MM density functional study

Biophysical Journal

Volumn 81, Issue 1, 2001, Pages 435-445

  Rovira, Carme ^a   Schulze, Brita ^b,e   Eichinger, Markus ^c   Evanseck, Jeffrey D ^a,f   Parrinello, Michele ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF MIAMI   (United States)

^c JOMESA Messysteme GmbH   (Germany)

^d MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^e MBT Munich Biotechnology   (Germany)

^f DUQUESNE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; FERROUS ION;

ARTICLE; CONFORMATIONAL TRANSITION; HEME SYNTHESIS; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MUSCLE STRENGTH; NONHUMAN; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; STRUCTURE ANALYSIS; VIBRATION;

EID: 0034951055     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(01)75711-6     Document Type: Article

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