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

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1021/ja054434b
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Affiliation
  1. National Research Council of Canada. National Institute for Nanotechnology
FormatText, Article
Abstract
Four 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
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  • JACS: Journal of the American Chemical Society 127, no. 44: 15334–15335.
LanguageEnglish
Peer reviewedYes
NPARC number12333564
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Record identifier62863260-9206-4453-9f69-0db3fac6685b
Record created2009-09-10
Record modified2020-04-07
Date modified: