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Comparative molecular field analysis of protein tyrosine phosphatase low-molecular-weight substrates

✍ Scribed by Traian Sulea; Enrico O Purisima


Book ID
114143001
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
527 KB
Volume
434
Category
Article
ISSN
0166-1280

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The energetics of substrate dephosphorylation in the low-molecularweight protein tyrosine phosphatase is studied with the empirical valence bond method in combination with molecular dynamics free energy perturbation simulations. Different mechanisms corresponding to different charge states of the re