title: Theoretical study of CO escaping pathway in myoglobin with the 3D-RISM theory.
abstract: 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.
authors.affiliation: Department of Functional Molecular Science, The Graduate University for Advanced Studies, Okazaki 444-8585, Japan.
authors.forename: Yasuomi
authors.initials: Y
authors.lastname: Kiyota
authors.forename: Ryusuke
authors.initials: R
authors.lastname: Hiraoka
authors.forename: Norio
authors.initials: N
authors.lastname: Yoshida
authors.forename: Yutaka
authors.initials: Y
authors.lastname: Maruyama
authors.forename: Takashi
authors.initials: T
authors.lastname: Imai
authors.forename: Fumio
authors.initials: F
authors.lastname: Hirata
mesh_terms: D002248:Carbon Monoxide / Q000737:chemistry* / Q000378:metabolism; D008962:Models, Theoretical; D009211:Myoglobin / Q000737:chemistry* / Q000378:metabolism; D011485:Protein Binding
chemical_list: D009211:Myoglobin; D002248:Carbon Monoxide