Works (5)

Updated: July 5th, 2023 15:57

2007 journal article

Effects of chain length on the aggregation of model polyglutamine peptides: Molecular dynamics simulations

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 66(1), 96–109.

By: A. Marchut n & C. Hall n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: protein aggregation; polyglutamine; amyloid; molecular dynamics; intermediate resolution model
MeSH headings : Computer Simulation; Dimerization; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Models, Molecular; Peptides / chemistry; Peptides / metabolism; Protein Folding; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 article

Commentary on: "Assembly of a tetrameric alpha-helical bundle: Computer simulations on an intermediate-resolution protein model" [Proteins 2001;44 : 376-391]

Marchut, A. J., Smith, A. V., & Hall, C. K. (2006, May 15). PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, Vol. 63, pp. 709–710.

By: A. Marchut n, A. Smith & C. Hall n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Amino Acids / chemistry; Computer Simulation; Energy Transfer; Hydrogen Bonding; Models, Biological; Models, Molecular; Peptides / chemistry; Polymers / chemistry; Protein Folding; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Side-chain interactions determine amyloid formation by model polyglutamine peptides in molecular dynamics simulations

BIOPHYSICAL JOURNAL, 90(12), 4574–4584.

By: A. Marchut n & C. Hall n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Amino Acid Sequence; Amyloid / chemical synthesis; Computer Simulation; Dimerization; Models, Chemical; Models, Molecular; Molecular Sequence Data; Motion; Multiprotein Complexes / chemistry; Peptides / chemistry; Protein Conformation; Protein Structure, Tertiary; Structure-Activity Relationship
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides

COMPUTATIONAL BIOLOGY AND CHEMISTRY, 30(3), 215–218.

By: A. Marchut n & C. Hall n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: protein aggregation; polyglutamine; molecular dynamics
MeSH headings : Brain Diseases / etiology; Computer Simulation; Humans; Huntington Disease / etiology; Models, Molecular; Nanotubes; Peptides / chemistry; Protein Conformation; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Solvent effects on the conformational transition of a model polyalanine peptide

Protein Science, 13(11), 2909–2924.

By: H. Nguyen n, A. Marchut n & C. Hall n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: polyalanine; alpha-beta transition; secondary structures; solvent conditions; discontinuous molecular dynamics
MeSH headings : Hydrogen Bonding / drug effects; Models, Molecular; Peptides / chemistry; Protein Structure, Secondary / drug effects; Solvents / pharmacology; Temperature
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018