4.8 Article

Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation

Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 45, Issue 4, Pages 653-657

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.200503025

Keywords

cocaine; enzymes; molecular dynamics; protein engineering; transition states

Funding

  1. NIDA NIH HHS [R01 DA013930-03, R01 DA013930-02, R01 DA013930] Funding Source: Medline
  2. NATIONAL INSTITUTE ON DRUG ABUSE [R01DA013930] Funding Source: NIH RePORTER

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