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Results: 12

1.

On the subject of rigor in the study of amyloid β-protein assembly.

Teplow DB.

Alzheimers Res Ther. 2013 Aug 27;5(4):39. doi: 10.1186/alzrt203. eCollection 2013. Review.

PMID:
23981712
[PubMed]
Free PMC Article
2.

Discrete molecular dynamics study of oligomer formation by N-terminally truncated amyloid β-protein.

Meral D, Urbanc B.

J Mol Biol. 2013 Jun 26;425(12):2260-75. doi: 10.1016/j.jmb.2013.03.010. Epub 2013 Mar 13.

PMID:
23500806
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

The role of molecular simulations in the development of inhibitors of amyloid β-peptide aggregation for the treatment of Alzheimer's disease.

Lemkul JA, Bevan DR.

ACS Chem Neurosci. 2012 Nov 21;3(11):845-56. doi: 10.1021/cn300091a. Epub 2012 Aug 27. Review.

PMID:
23173066
[PubMed - indexed for MEDLINE]
Free PMC Article
4.

Dynamics of metastable β-hairpin structures in the folding nucleus of amyloid β-protein.

Cruz L, Rao JS, Teplow DB, Urbanc B.

J Phys Chem B. 2012 Jun 7;116(22):6311-25. doi: 10.1021/jp301619v. Epub 2012 May 24.

PMID:
22587454
[PubMed - indexed for MEDLINE]
Free PMC Article
5.

Dimer formation enhances structural differences between amyloid β-protein (1-40) and (1-42): an explicit-solvent molecular dynamics study.

Barz B, Urbanc B.

PLoS One. 2012;7(4):e34345. doi: 10.1371/journal.pone.0034345. Epub 2012 Apr 11.

PMID:
22509291
[PubMed - indexed for MEDLINE]
Free PMC Article
6.

Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.

Tuffery P, Derreumaux P.

J R Soc Interface. 2012 Jan 7;9(66):20-33. doi: 10.1098/rsif.2011.0584. Epub 2011 Oct 12. Review.

PMID:
21993006
[PubMed - indexed for MEDLINE]
Free PMC Article
7.

Parallel Discrete Molecular Dynamics Simulation With Speculation and In-Order Commitment.

Khan MA, Herbordt MC.

J Comput Phys. 2011 Jul 20;230(17):6563-6582.

PMID:
21822327
[PubMed]
Free PMC Article
8.

Stability tests on known and misfolded structures with discrete and all atom molecular dynamics simulations.

Yun S, Guy HR.

J Mol Graph Model. 2011 Feb;29(5):663-75. doi: 10.1016/j.jmgm.2010.12.002. Epub 2010 Dec 13.

PMID:
21215670
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Clioquinol and other hydroxyquinoline derivatives inhibit Abeta(1-42) oligomer assembly.

LeVine H 3rd, Ding Q, Walker JA, Voss RS, Augelli-Szafran CE.

Neurosci Lett. 2009 Nov 6;465(1):99-103. doi: 10.1016/j.neulet.2009.08.002. Epub 2009 Aug 5.

PMID:
19664688
[PubMed - indexed for MEDLINE]
Free PMC Article
10.

Dynamic properties of pH-dependent structural organization of the amyloidogenic beta-protein (1-40).

Rubinstein A, Lyubchenko YL, Sherman S.

Prion. 2009 Jan-Mar;3(1):31-43. Epub 2009 Jan 10.

PMID:
19372746
[PubMed - indexed for MEDLINE]
Free PMC Article
11.

Amyloid beta-protein monomer folding: free-energy surfaces reveal alloform-specific differences.

Yang M, Teplow DB.

J Mol Biol. 2008 Dec 12;384(2):450-64. doi: 10.1016/j.jmb.2008.09.039. Epub 2008 Sep 24.

PMID:
18835397
[PubMed - indexed for MEDLINE]
Free PMC Article
12.

Role of electrostatic interactions in amyloid beta-protein (A beta) oligomer formation: a discrete molecular dynamics study.

Yun S, Urbanc B, Cruz L, Bitan G, Teplow DB, Stanley HE.

Biophys J. 2007 Jun 1;92(11):4064-77. Epub 2007 Feb 16.

PMID:
17307823
[PubMed - indexed for MEDLINE]
Free PMC Article

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