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Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole

Academic Article
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Overview

related to degree

  • Hotta, Kinya, Ph.D. in Chemistry, Scripps Research 1996 - 2001

authors

  • Ujaque, G.
  • Tantillo, D. J.
  • Hu, Y.
  • Houk, K. N.
  • Hotta, Kinya
  • Hilvert, D.

publication date

  • January 2003

journal

  • Journal of Computational Chemistry  Journal
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Research

keywords

  • 5-nitro-3carboxybenzisoxazole
  • decarboxylation
  • free energy perturbation analysis
  • molecular dynamics
  • theozyme
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Identity

International Standard Serial Number (ISSN)

  • 0192-8651

Digital Object Identifier (DOI)

  • 10.1002/jcc.10151
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Additional Document Info

start page

  • 98

end page

  • 110

volume

  • 24

issue

  • 1

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