129 related articles for article (PubMed ID: 35912724)
1. Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation.
Privat C; Madurga S; Mas F; Rubio-Martinez J
Phys Chem Chem Phys; 2022 Aug; 24(31):18841-18853. PubMed ID: 35912724
[TBL] [Abstract][Full Text] [Related]
2. The IDP-Specific Force Field ff14IDPSFF Improves the Conformer Sampling of Intrinsically Disordered Proteins.
Song D; Luo R; Chen HF
J Chem Inf Model; 2017 May; 57(5):1166-1178. PubMed ID: 28448138
[TBL] [Abstract][Full Text] [Related]
3. Modeling structural interconversion in Alzheimers' amyloid beta peptide with classical and intrinsically disordered protein force fields.
Wu KY; Doan D; Medrano M; Chang CA
J Biomol Struct Dyn; 2022; 40(20):10005-10022. PubMed ID: 34152264
[TBL] [Abstract][Full Text] [Related]
4. Secondary structures transition of tau protein with intrinsically disordered proteins specific force field.
Dan A; Chen HF
Chem Biol Drug Des; 2019 Mar; 93(3):242-253. PubMed ID: 30259679
[TBL] [Abstract][Full Text] [Related]
5. Computational Studies of Intrinsically Disordered Proteins.
Duong VT; Chen Z; Thapa MT; Luo R
J Phys Chem B; 2018 Nov; 122(46):10455-10469. PubMed ID: 30372613
[TBL] [Abstract][Full Text] [Related]
6. Comparison and Evaluation of Force Fields for Intrinsically Disordered Proteins.
Rahman MU; Rehman AU; Liu H; Chen HF
J Chem Inf Model; 2020 Oct; 60(10):4912-4923. PubMed ID: 32816485
[TBL] [Abstract][Full Text] [Related]
7. Predicting molecular properties of α-synuclein using force fields for intrinsically disordered proteins.
Pedersen KB; Flores-Canales JC; Schiøtt B
Proteins; 2023 Jan; 91(1):47-61. PubMed ID: 35950933
[TBL] [Abstract][Full Text] [Related]
8. Epitope region identification challenges of intrinsically disordered proteins in neurodegenerative diseases: Secondary structure dependence of α-synuclein on simulation techniques and force field parameters.
Mandaci SY; Caliskan M; Sariaslan MF; Uversky VN; Coskuner-Weber O
Chem Biol Drug Des; 2020 Jul; 96(1):659-667. PubMed ID: 31903719
[TBL] [Abstract][Full Text] [Related]
9. Test and Evaluation of ff99IDPs Force Field for Intrinsically Disordered Proteins.
Ye W; Ji D; Wang W; Luo R; Chen HF
J Chem Inf Model; 2015 May; 55(5):1021-9. PubMed ID: 25919886
[TBL] [Abstract][Full Text] [Related]
10. A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein.
Ramis R; Ortega-Castro J; Casasnovas R; Mariño L; Vilanova B; Adrover M; Frau J
J Chem Inf Model; 2019 Apr; 59(4):1458-1471. PubMed ID: 30933517
[TBL] [Abstract][Full Text] [Related]
11. Order-disorder transition of intrinsically disordered kinase inducible transactivation domain of CREB.
Liu H; Guo X; Han J; Luo R; Chen HF
J Chem Phys; 2018 Jun; 148(22):225101. PubMed ID: 29907037
[TBL] [Abstract][Full Text] [Related]
12. Structures and free energy landscapes of the A53T mutant-type α-synuclein protein and impact of A53T mutation on the structures of the wild-type α-synuclein protein with dynamics.
Coskuner O; Wise-Scira O
ACS Chem Neurosci; 2013 Jul; 4(7):1101-13. PubMed ID: 23607785
[TBL] [Abstract][Full Text] [Related]
13. Conformational Preferences of an Intrinsically Disordered Protein Domain: A Case Study for Modern Force Fields.
Gopal SM; Wingbermühle S; Schnatwinkel J; Juber S; Herrmann C; Schäfer LV
J Phys Chem B; 2021 Jan; 125(1):24-35. PubMed ID: 33382616
[TBL] [Abstract][Full Text] [Related]
14. Recent Force Field Strategies for Intrinsically Disordered Proteins.
Mu J; Liu H; Zhang J; Luo R; Chen HF
J Chem Inf Model; 2021 Mar; 61(3):1037-1047. PubMed ID: 33591749
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Structures of the intrinsically disordered Aβ, tau and α-synuclein proteins in aqueous solution from computer simulations.
Nguyen PH; Derreumaux P
Biophys Chem; 2020 Sep; 264():106421. PubMed ID: 32623047
[TBL] [Abstract][Full Text] [Related]
17. Systematic Differences between Current Molecular Dynamics Force Fields To Represent Local Properties of Intrinsically Disordered Proteins.
Yu L; Li DW; Brüschweiler R
J Phys Chem B; 2021 Jan; 125(3):798-804. PubMed ID: 33444020
[TBL] [Abstract][Full Text] [Related]
18. General Purpose Water Model Can Improve Atomistic Simulations of Intrinsically Disordered Proteins.
Shabane PS; Izadi S; Onufriev AV
J Chem Theory Comput; 2019 Apr; 15(4):2620-2634. PubMed ID: 30865832
[TBL] [Abstract][Full Text] [Related]
19. Local and Global Dynamics in Intrinsically Disordered Synuclein.
Rezaei-Ghaleh N; Parigi G; Soranno A; Holla A; Becker S; Schuler B; Luchinat C; Zweckstetter M
Angew Chem Int Ed Engl; 2018 Nov; 57(46):15262-15266. PubMed ID: 30184304
[TBL] [Abstract][Full Text] [Related]
20. ff14IDPs force field improving the conformation sampling of intrinsically disordered proteins.
Song D; Wang W; Ye W; Ji D; Luo R; Chen HF
Chem Biol Drug Des; 2017 Jan; 89(1):5-15. PubMed ID: 27484738
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
