| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384188 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
⺠MD simulations of a small protein using the EEF1.1 implicit solvent model are performed. ⺠With the CHARMM19 force field the protein shows a significant conformational reorientation. ⺠This is not observed in EEF1.1 with the CHARMM22 force field or GBSW simulations. ⺠Differences in fluctuations and correlated motions are also apparent.
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Authors
Mengchen Pu, Juan P. Garrahan, Jonathan D. Hirst,