717 related articles for article (PubMed ID: 29235155)
21. Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations.
Fawzi NL; Phillips AH; Ruscio JZ; Doucleff M; Wemmer DE; Head-Gordon T
J Am Chem Soc; 2008 May; 130(19):6145-58. PubMed ID: 18412346
[TBL] [Abstract][Full Text] [Related]
22. 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]
23. Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers.
Man VH; Nguyen PH; Derreumaux P
J Phys Chem B; 2017 Mar; 121(11):2434-2442. PubMed ID: 28245647
[TBL] [Abstract][Full Text] [Related]
24. Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solution.
Ngo ST; Hung HM; Truong DT; Nguyen MT
Phys Chem Chem Phys; 2017 Jan; 19(3):1909-1919. PubMed ID: 28004051
[TBL] [Abstract][Full Text] [Related]
25. Role of electrostatic interactions in binding of peptides and intrinsically disordered proteins to their folded targets. 1. NMR and MD characterization of the complex between the c-Crk N-SH3 domain and the peptide Sos.
Xue Y; Yuwen T; Zhu F; Skrynnikov NR
Biochemistry; 2014 Oct; 53(41):6473-95. PubMed ID: 25207671
[TBL] [Abstract][Full Text] [Related]
26. How accurate are your simulations? Effects of confined aqueous volume and AMBER FF99SB and CHARMM22/CMAP force field parameters on structural ensembles of intrinsically disordered proteins: Amyloid-β
Weber OC; Uversky VN
Intrinsically Disord Proteins; 2017; 5(1):e1377813. PubMed ID: 30250773
[TBL] [Abstract][Full Text] [Related]
27. Secondary structure dependence of amyloid-β(1-40) on simulation techniques and force field parameters.
Caliskan M; Mandaci SY; Uversky VN; Coskuner-Weber O
Chem Biol Drug Des; 2021 May; 97(5):1100-1108. PubMed ID: 33580600
[TBL] [Abstract][Full Text] [Related]
28. Norepinephrine Inhibits Alzheimer's Amyloid-β Peptide Aggregation and Destabilizes Amyloid-β Protofibrils: A Molecular Dynamics Simulation Study.
Zou Y; Qian Z; Chen Y; Qian H; Wei G; Zhang Q
ACS Chem Neurosci; 2019 Mar; 10(3):1585-1594. PubMed ID: 30605312
[TBL] [Abstract][Full Text] [Related]
29. Mechanistic insight into E22Q-mutation-induced antiparallel-to-parallel β-sheet transition of Aβ
Li X; Lei J; Qi R; Xie L; Wei G
Phys Chem Chem Phys; 2019 Jul; 21(28):15686-15694. PubMed ID: 31271401
[TBL] [Abstract][Full Text] [Related]
30. Fe(2+) binding on amyloid β-peptide promotes aggregation.
Boopathi S; Kolandaivel P
Proteins; 2016 Sep; 84(9):1257-74. PubMed ID: 27214008
[TBL] [Abstract][Full Text] [Related]
31. A comparative study of two different force fields on structural and thermodynamics character of H1 peptide via molecular dynamics simulations.
Cao Z; Wang J
J Biomol Struct Dyn; 2010 Apr; 27(5):651-61. PubMed ID: 20085382
[TBL] [Abstract][Full Text] [Related]
32. An α-helix mimetic oligopyridylamide, ADH-31, modulates Aβ
Kaur A; Goyal D; Goyal B
Phys Chem Chem Phys; 2020 Dec; 22(48):28055-28073. PubMed ID: 33289734
[TBL] [Abstract][Full Text] [Related]
33. Structures of the Alzheimer's Wild-Type Aβ1-40 Dimer from Atomistic Simulations.
Tarus B; Tran TT; Nasica-Labouze J; Sterpone F; Nguyen PH; Derreumaux P
J Phys Chem B; 2015 Aug; 119(33):10478-87. PubMed ID: 26228450
[TBL] [Abstract][Full Text] [Related]
34. Structural Characterization of Amyloid β17-42 Dimer by Potential of Mean Force Analysis: Insights from Molecular Dynamics Simulations.
Dutta M; Chutia R; Mattaparthi VSK
Protein Pept Lett; 2017; 24(7):650-660. PubMed ID: 28641562
[TBL] [Abstract][Full Text] [Related]
35. Characterization of the internal dynamics and conformational space of zinc-bound amyloid β peptides by replica-exchange molecular dynamics simulations.
Xu L; Wang X; Wang X
Eur Biophys J; 2013 Jul; 42(7):575-86. PubMed ID: 23640306
[TBL] [Abstract][Full Text] [Related]
36. 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]
37. Dimerization of Aβ40 inside dipalmitoylphosphatidylcholine bilayer and its effect on bilayer integrity: Atomistic simulation at three temperatures.
Kargar F; Emadi S; Fazli H
Proteins; 2020 Nov; 88(11):1540-1552. PubMed ID: 32557766
[TBL] [Abstract][Full Text] [Related]
38. Structure of the 21-30 fragment of amyloid beta-protein.
Baumketner A; Bernstein SL; Wyttenbach T; Lazo ND; Teplow DB; Bowers MT; Shea JE
Protein Sci; 2006 Jun; 15(6):1239-47. PubMed ID: 16731963
[TBL] [Abstract][Full Text] [Related]
39. 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]
40. 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]
[Previous] [Next] [New Search]
