Theoretical study of CO escaping pathway in myoglobin with the 3D-RISM theory.
CO escaping pathways of Myoglobin were investigated in terms of 3D distribution function which was calculated by the 3D-RISM theory. The partial molar volume changes through the CO escaping pathways show excellent agreement with those from the experiment.
Kiyota
Yasuomi
Y
Department of Functional Molecular Science, The Graduate University for Advanced Studies, Okazaki 444-8585, Japan.
Hiraoka
Ryusuke
R
Yoshida
Norio
N
Maruyama
Yutaka
Y
Imai
Takashi
T
Hirata
Fumio
F
D002248:Carbon Monoxide / Q000737:chemistry* / Q000378:metabolism; D008962:Models, Theoretical; D009211:Myoglobin / Q000737:chemistry* / Q000378:metabolism; D011485:Protein Binding
D009211:Myoglobin; D002248:Carbon Monoxide