Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water
- 1 January 2002
- journal article
- research article
- Published by Springer Nature in Journal of Biomolecular NMR
- Vol. 22 (4), 317-331
- https://doi.org/10.1023/a:1014929925008
Abstract
The inclusion of explicit solvent water in molecular dynamics refinement of NMR structures ought to provide the most physically meaningful accounting for the effects of solvent on structure, but is...This publication has 16 references indexed in Scilit:
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