Matches in SemOpenAlex for { <https://semopenalex.org/work/W2314292783> ?p ?o ?g. }
- W2314292783 endingPage "697" @default.
- W2314292783 startingPage "687" @default.
- W2314292783 abstract "The Martini coarse-grained force field has been successfully used for simulating a wide range of (bio)molecular systems. Recent progress in our ability to test the model against fully atomistic force fields, however, has revealed some shortcomings. Most notable, phenylalanine and proline were too hydrophobic, and dimers formed by polar residues in apolar solvents did not bind strongly enough. Here, we reparametrize these residues either through reassignment of particle types or by introducing embedded charges. The new parameters are tested with respect to partitioning across a lipid bilayer, membrane binding of Wimley-White peptides, and dimerization free energy in solvents of different polarity. In addition, we improve some of the bonded terms in the Martini protein force field that lead to a more realistic length of α-helices and to improved numerical stability for polyalanine and glycine repeats. The new parameter set is denoted Martini version 2.2." @default.
- W2314292783 created "2016-06-24" @default.
- W2314292783 creator A5013571494 @default.
- W2314292783 creator A5016032865 @default.
- W2314292783 creator A5024951505 @default.
- W2314292783 creator A5032906763 @default.
- W2314292783 creator A5060257355 @default.
- W2314292783 creator A5062095380 @default.
- W2314292783 creator A5065556977 @default.
- W2314292783 creator A5077574182 @default.
- W2314292783 creator A5085114391 @default.
- W2314292783 date "2012-11-28" @default.
- W2314292783 modified "2023-10-16" @default.
- W2314292783 title "Improved Parameters for the Martini Coarse-Grained Protein Force Field" @default.
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