4.8 Article

Theoretical Study of CO Escaping Pathway in Myoglobin with the 3D-RISM Theory

Journal

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 131, Issue 11, Pages 3852-+

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ja900332e

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Funding

  1. MEXT, Japan

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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.

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