Water Molecules in a Protein Cavity Detected by a Statistical-Mechanical Theory

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DOIResolve DOI: http://doi.org/10.1021/ja054434b
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TypeArticle
Journal titleJACS: Journal of the American Chemical Society
ISSN0002-7863
Volume127
Issue44
Pages1533415335; # of pages: 2
AbstractFour water molecules confined in a small cavity of hen egg-white lysozyme were detected by means of the three-dimensional (3D) RISM theory, a statistical-mechanical theory of molecular solutions. This is the first theoretical realization of confined molecules in a protein without making nonsense tricks, such as placing the molecules in the space a priori. Possible impacts which the result may have on biochemistry and biophysics, including the molecular recognition, enzymatic reactions, etc., are discussed.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; National Institute for Nanotechnology
Peer reviewedYes
Identifier10072378
NPARC number12333564
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Record identifier62863260-9206-4453-9f69-0db3fac6685b
Record created2009-09-10
Record modified2017-03-17
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