## Abstract We have run several molecular dynamics (MD) simulations on zincβcontaining phosphotriesterase (PTE) with two bound substrates, sarin and paraoxon, and with the substrate analog diethyl 4βmethylbenzylphosphonate. A standard nonbonded model was employed to treat the zinc ions with the com
The use of a site-centred coordinate system in the statistical mechanics of site-interaction molecular fluids
β Scribed by Ivo Nezbeda; William R. Smith
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 375 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0009-2614
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