Electrostatic transition state stabilization rather than reactant destabilization provides the chemical basis for efficient chorismate mutase catalysis

No abstract is available for this paper.

• Publication year

  2014

• Venue

  Proceedings of the National Academy of Sciences of the United States of America

• Publication date

  2014-11-24

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1073/pnas.1408512111PMID 25422475PMCID PMC4267393
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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  2003influential reference
• research papers Acta Crystallographica Section D Biological

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  2002influential reference
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  2000cited by this paper
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  2000influential reference
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  1997influential reference
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  1994influential reference
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