146 related articles for article (PubMed ID: 26256268)
1. The Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models.
Somavarapu AK; Kepp KP
Chemphyschem; 2015 Oct; 16(15):3278-89. PubMed ID: 26256268
[TBL] [Abstract][Full Text] [Related]
2. Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer's amyloid β-peptide.
Gerben SR; Lemkul JA; Brown AM; Bevan DR
J Biomol Struct Dyn; 2014; 32(11):1817-32. PubMed ID: 24028075
[TBL] [Abstract][Full Text] [Related]
3. Force-Field Induced Bias in the Structure of Aβ21-30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields.
Smith MD; Rao JS; Segelken E; Cruz L
J Chem Inf Model; 2015 Dec; 55(12):2587-95. PubMed ID: 26629886
[TBL] [Abstract][Full Text] [Related]
4. Characterization of Aβ Monomers through the Convergence of Ensemble Properties among Simulations with Multiple Force Fields.
Rosenman DJ; Wang C; García AE
J Phys Chem B; 2016 Jan; 120(2):259-77. PubMed ID: 26562747
[TBL] [Abstract][Full Text] [Related]
5. Effects of different force fields on the structural character of α synuclein β-hairpin peptide (35-56) in aqueous environment.
Kundu S
J Biomol Struct Dyn; 2018 Feb; 36(2):302-317. PubMed ID: 28024449
[TBL] [Abstract][Full Text] [Related]
6. Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?
Siwy CM; Lockhart C; Klimov DK
PLoS Comput Biol; 2017 Jan; 13(1):e1005314. PubMed ID: 28085875
[TBL] [Abstract][Full Text] [Related]
7. High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields.
Man VH; Nguyen PH; Derreumaux P
J Phys Chem B; 2017 Jun; 121(24):5977-5987. PubMed ID: 28538095
[TBL] [Abstract][Full Text] [Related]
8. Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal.
Hu Z; Jiang J
J Comput Chem; 2010 Jan; 31(2):371-80. PubMed ID: 19479737
[TBL] [Abstract][Full Text] [Related]
9. Prion protein conversion triggered by acidic condition: a molecular dynamics study through different force fields.
Thompson HN; Thompson CE; Andrade Caceres R; Dardenne LE; Netz PA; Stassen H
J Comput Chem; 2018 Sep; 39(24):2000-2011. PubMed ID: 30238474
[TBL] [Abstract][Full Text] [Related]
10. Experimental verification of force fields for molecular dynamics simulations using Gly-Pro-Gly-Gly.
Aliev AE; Courtier-Murias D
J Phys Chem B; 2010 Sep; 114(38):12358-75. PubMed ID: 20825228
[TBL] [Abstract][Full Text] [Related]
11. Characterization of the structural ensembles of p53 TAD2 by molecular dynamics simulations with different force fields.
Ouyang Y; Zhao L; Zhang Z
Phys Chem Chem Phys; 2018 Mar; 20(13):8676-8684. PubMed ID: 29537020
[TBL] [Abstract][Full Text] [Related]
12. Secondary Structure of Rat and Human Amylin across Force Fields.
Hoffmann KQ; McGovern M; Chiu CC; de Pablo JJ
PLoS One; 2015; 10(7):e0134091. PubMed ID: 26221949
[TBL] [Abstract][Full Text] [Related]
13. Effects of force fields on the conformational and dynamic properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations.
Watts CR; Gregory A; Frisbie C; Lovas S
Proteins; 2018 Mar; 86(3):279-300. PubMed ID: 29235155
[TBL] [Abstract][Full Text] [Related]
14. Effects of water models on binding affinity: evidence from all-atom simulation of binding of tamiflu to A/H5N1 neuraminidase.
Nguyen TT; Viet MH; Li MS
ScientificWorldJournal; 2014; 2014():536084. PubMed ID: 24672329
[TBL] [Abstract][Full Text] [Related]
15. Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the Aβ(16-22) dimer and trimer.
Nguyen PH; Li MS; Derreumaux P
Phys Chem Chem Phys; 2011 May; 13(20):9778-88. PubMed ID: 21487594
[TBL] [Abstract][Full Text] [Related]
16. Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations.
Cino EA; Choy WY; Karttunen M
J Chem Theory Comput; 2012 Aug; 8(8):2725-2740. PubMed ID: 22904695
[TBL] [Abstract][Full Text] [Related]
17. Amyloid peptide Aβ40 inhibits aggregation of Aβ42: evidence from molecular dynamics simulations.
Viet MH; Li MS
J Chem Phys; 2012 Jun; 136(24):245105. PubMed ID: 22755606
[TBL] [Abstract][Full Text] [Related]
18. Why the OPLS-AA force field cannot produce the β-hairpin structure of H1 peptide in solution when comparing with the GROMOS 43A1 force field?
Cao Z; Liu L; Wang J
J Biomol Struct Dyn; 2011 Dec; 29(3):527-39. PubMed ID: 22066538
[TBL] [Abstract][Full Text] [Related]
19. Comparison of force fields for Alzheimer's A β42: A case study for intrinsically disordered proteins.
Carballo-Pacheco M; Strodel B
Protein Sci; 2017 Feb; 26(2):174-185. PubMed ID: 27727496
[TBL] [Abstract][Full Text] [Related]
20. Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution.
Nguyen PH; Campanera JM; Ngo ST; Loquet A; Derreumaux P
J Phys Chem B; 2019 Aug; 123(31):6750-6756. PubMed ID: 31296000
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]