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Items: 1 to 20 of 124

1.

A test on peptide stability of AMBER force fields with implicit solvation.

Shell MS, Ritterson R, Dill KA.

J Phys Chem B. 2008 Jun 5;112(22):6878-86. doi: 10.1021/jp800282x.

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Force field influences in beta-hairpin folding simulations.

Lwin TZ, Luo R.

Protein Sci. 2006 Nov;15(11):2642-55.

4.

Are AMBER Force Fields and Implicit Solvation Models Additive? A Folding Study with a Balanced Peptide Test Set.

Robinson MK, Monroe JI, Shell MS.

J Chem Theory Comput. 2016 Nov 8;12(11):5631-5642.

PMID:
27731628
5.
6.

A test of implicit solvent models on the folding simulation of the GB1 peptide.

Shao Q, Yang L, Gao YQ.

J Chem Phys. 2009 May 21;130(19):195104. doi: 10.1063/1.3132850.

PMID:
19466868
7.
8.

Comparative study of generalized born models: Born radii and peptide folding.

Zhu J, Alexov E, Honig B.

J Phys Chem B. 2005 Feb 24;109(7):3008-22.

PMID:
16851315
10.
12.

Folding thermodynamics of β-hairpins studied by replica-exchange molecular dynamics simulations.

Zerze GH, Uz B, Mittal J.

Proteins. 2015 Jul;83(7):1307-15. doi: 10.1002/prot.24827.

PMID:
25973961
14.

Predicting peptide structures in native proteins from physical simulations of fragments.

Voelz VA, Shell MS, Dill KA.

PLoS Comput Biol. 2009 Feb;5(2):e1000281. doi: 10.1371/journal.pcbi.1000281.

16.
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Folding very short peptides using molecular dynamics.

Ho BK, Dill KA.

PLoS Comput Biol. 2006 Apr;2(4):e27. Erratum in: PLoS Comput Biol. 2006 May;2(5):e60.

18.

Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent.

Rodriguez A, Mokoema P, Corcho F, Bisetty K, Perez JJ.

J Phys Chem B. 2011 Feb 17;115(6):1440-9. doi: 10.1021/jp106475c.

PMID:
21254763
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