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Molecular Dynamics Simulations of Protein-Tyrosine Phosphatase 1B. II. Substrate-Enzyme Interactions and Dynamics

✍ Scribed by Peters, Günther H.; Frimurer, Thomas M.; Andersen, Jannik N.; Olsen, Ole H.

Book ID
118513932
Publisher
Biophysical Society
Year
2000
Tongue
English
Weight
678 KB
Volume
78
Category
Article
ISSN
0006-3495

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## Abstract Molecular dynamics simulations of Ca^+2^ ions near protein were performed with three force fields: GROMOS96, OPLS‐AA, and CHARMM22. The simulations reveal major, force‐field dependent, inconsistencies in the interaction between the Ca^+2^ ions with the protein. The variations are attrib