Works (7)

Updated: July 5th, 2023 15:40

2021 review

Molecular conformations and dynamics of nucleotide repeats associated with neurodegenerative diseases: double helices and CAG hairpin loops

[Review of ]. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 19, 2819–2832.

By: F. Pan*, Y. Zhang*, P. Xu n, V. Man n, C. Roland n, K. Weninger n, C. Sagui n

co-author countries: United States of America 🇺🇸
author keywords: Trinucleotide hexanucleotide repeats; CAG; GAC; CTG; CUG; CCG; GGC; GGGGCC; GGCCCC; Hairpin loops; smFRET; Molecular dynamics
Sources: Web Of Science, ORCID
Added: August 30, 2021

2017 journal article

Structure and Dynamics of DNA and RNA Double Helices of CAG and GAC Trinucleotide Repeats

BIOPHYSICAL JOURNAL, 113(1), 19–36.

By: F. Pan n, V. Man n, C. Roland n & C. Sagui n

co-author countries: United States of America 🇺🇸
MeSH headings : Cations / chemistry; DNA / chemistry; Hydrogen-Ion Concentration; Molecular Dynamics Simulation; Nucleic Acid Conformation; Principal Component Analysis; RNA / chemistry; Sodium / chemistry; Trinucleotide Repeats
Source: Web Of Science
Added: August 6, 2018

2016 journal article

Comparative melting and healing of B-DNA and Z-DNA by an infrared laser pulse

JOURNAL OF CHEMICAL PHYSICS, 144(14).

By: V. Man n, F. Pan n, C. Sagui n & C. Roland n

co-author countries: United States of America 🇺🇸
MeSH headings : DNA, B-Form / chemistry; DNA, Z-Form / chemistry; Lasers; Molecular Dynamics Simulation; Thermodynamics
Source: Web Of Science
Added: August 6, 2018

2016 journal article

Nonequilibrium all-atom molecular dynamics simulation of the bubble cavitation and application to dissociate amyloid fibrils

JOURNAL OF CHEMICAL PHYSICS, 145(17).

co-author countries: France 🇫🇷 United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Gases / chemistry; Molecular Dynamics Simulation; Protein Structure, Secondary
Source: Web Of Science
Added: August 6, 2018

2016 journal article

Picosecond infrared laser-induced all-atom nonequilibrium molecular dynamics simulation of dissociation of viruses

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(17), 11951–11958.

co-author countries: France 🇫🇷 Poland 🇵🇱 United States of America 🇺🇸 Viet Nam 🇻🇳
MeSH headings : Biocompatible Materials / chemistry; Humans; Infrared Rays; Lasers; Molecular Dynamics Simulation; Poliomyelitis / virology; Poliovirus / chemistry; Poliovirus / radiation effects; Virion / chemistry; Virion / radiation effects
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Communication: Multiple atomistic force fields in a single enhanced sampling simulation

JOURNAL OF CHEMICAL PHYSICS, 143(2).

co-author countries: France 🇫🇷 United States of America 🇺🇸
MeSH headings : Molecular Dynamics Simulation; Oligopeptides / chemistry; Pattern Recognition, Automated; Protein Conformation; Solvents / chemistry; Water / chemistry
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Structural Determinants of Polyglutamine Protofibrils and Crystallites

ACS CHEMICAL NEUROSCIENCE, 6(4), 632–645.

By: V. Man n, C. Roland n & C. Sagui n

co-author countries: United States of America 🇺🇸
author keywords: Aggregation; amyloid fibrils; parallel sheets; antiparallel sheets; polyglutamine diseases; steric zippers
MeSH headings : Amyloid / chemistry; Amyloid / genetics; Hydrogen Bonding; Models, Chemical; Molecular Dynamics Simulation; Peptides / chemistry; Protein Conformation; Protein Stability; Time Factors
Source: Web Of Science
Added: August 6, 2018

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