Cargando…

Replica Exchange Molecular Dynamics of Diphenylalanine Amyloid Peptides in Electric Fields

[Image: see text] The self-assembling propensity of amyloid peptides such as diphenylalanine (FF) allows them to form ordered, nanoscale structures, with biocompatible properties important for biomedical applications. Moreover, piezoelectric properties allow FF molecules and their aggregates (e.g.,...

Descripción completa

Detalles Bibliográficos
Autores principales:	Narayan, Brajesh, Herbert, Colm, Rodriguez, Brian J., Brooks, Bernard R., Buchete, Nicolae-Viorel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279545/ https://www.ncbi.nlm.nih.gov/pubmed/33990140 http://dx.doi.org/10.1021/acs.jpcb.1c01939

Ejemplares similares

Thermal and aqueous stability improvement of graphene oxide enhanced diphenylalanine nanocomposites
por: Ryan, Kate, et al.
Publicado: (2017)

Alzheimer Aβ peptide interactions with lipid membranes: Fibrils, oligomers and polymorphic amyloid channels
por: Tofoleanu, Florentina, et al.
Publicado: (2012)

Structural Transition-Induced Raman Enhancement in Bioinspired Diphenylalanine Peptide Nanotubes
por: Almohammed, Sawsan, et al.
Publicado: (2022)

Self-Assembly of Diphenylalanine–Peptide Nucleic Acid Conjugates
por: Datta, Dhrubajyoti, et al.
Publicado: (2019)

Self-assembly of diphenylalanine peptide with controlled polarization for power generation
por: Nguyen, Vu, et al.
Publicado: (2016)

Structure and Dynamics of Confined Water Inside Diphenylalanine Peptide Nanotubes
por: Chen, Jinfeng, et al.
Publicado: (2023)

Influence of various parameters in the replica-exchange molecular dynamics method: Number of replicas, replica-exchange frequency, and thermostat coupling time constant
por: Iwai, Ryosuke, et al.
Publicado: (2018)

Diphenylalanine Motif Drives Self‐Assembling in Hybrid PNA‐Peptide Conjugates
por: Diaferia, Carlo, et al.
Publicado: (2021)

Replica exchange molecular dynamics simulation of the coordination of Pt(ii)-Phenanthroline to amyloid-β
por: Turner, Matthew, et al.
Publicado: (2019)

Photo-induced surface-enhanced Raman spectroscopy from a diphenylalanine peptide nanotube-metal nanoparticle template
por: Almohammed, Sawsan, et al.
Publicado: (2018)

PAINT‐ing Fluorenylmethoxycarbonyl (Fmoc)‐Diphenylalanine Hydrogels
por: Fuentes, Edgar, et al.
Publicado: (2020)

Molecular Dynamics Simulation of Self-Assembly Processes of Diphenylalanine Peptide Nanotubes and Determination of Their Chirality
por: Bystrov, Vladimir, et al.
Publicado: (2023)

Exchanging Replicas with Unequal Cost, Infinitely and Permanently
por: Roet, Sander, et al.
Publicado: (2022)

Controlling self-assembly of diphenylalanine peptides at high pH using heterocyclic capping groups
por: Martin, Adam D., et al.
Publicado: (2017)

Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity
por: Basavalingappa, Vasantha, et al.
Publicado: (2020)

Temperature-induced reversible self-assembly of diphenylalanine peptide and the structural transition from organogel to crystalline nanowires
por: Huang, Renliang, et al.
Publicado: (2014)

Structures and Properties of the Self-Assembling Diphenylalanine Peptide Nanotubes Containing Water Molecules: Modeling and Data Analysis
por: Bystrov, Vladimir, et al.
Publicado: (2020)

Fmoc-Diphenylalanine Hydrogels: Optimization of Preparation Methods and Structural Insights
por: Diaferia, Carlo, et al.
Publicado: (2022)

A Diphenylalanine Based Pentapeptide with Fibrillating Self-Assembling Properties
por: Jitaru, Stefania-Claudia, et al.
Publicado: (2023)

Self-assembly of benzophenone-diphenylalanine conjugate into a nanostructured photocatalyst
por: Adorinni, Simone, et al.
Publicado: (2023)

Conformational Ensembles of α-Synuclein Derived Peptide with Different Osmolytes from Temperature Replica Exchange Sampling
por: Jamal, Salma, et al.
Publicado: (2017)

In Silico Generation of Peptides by Replica Exchange Monte Carlo: Docking-Based Optimization of Maltose-Binding-Protein Ligands
por: Russo, Anna, et al.
Publicado: (2015)

Réplica
por: Barrios-López, J.M., et al.
Publicado: (2021)

Réplica
por: Pérez-Robledo, Fátima, et al.
Publicado: (2022)

Réplica
por: Anaya-González, Jorge L., et al.
Publicado: (2023)

Réplica
por: Soto-Insuga, Víctor, et al.
Publicado: (2023)

A replica exchange umbrella sampling (REUS) approach to predict host–guest binding free energies in SAMPL8 challenge
por: Ghorbani, Mahdi, et al.
Publicado: (2021)

Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration
por: Fajer, Mikolai, et al.
Publicado: (2008)

Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering
por: Cole, Daniel J., et al.
Publicado: (2014)

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering
por: Gil-Ley, Alejandro, et al.
Publicado: (2015)

Induced fit with replica exchange improves protein complex structure prediction
por: Harmalkar, Ameya, et al.
Publicado: (2022)

Accelerating Solvent Dynamics with Replica Exchange for Improved Free Energy Sampling
por: Darkins, Robert, et al.
Publicado: (2023)

Correction: In Silico Generation of Peptides by Replica Exchange Monte Carlo: Docking-Based Optimization of Maltose-Binding-Protein Ligands
por: Russo, Anna, et al.
Publicado: (2016)

Self-Assembled Polysaccharide–Diphenylalanine/Au Nanospheres for Photothermal Therapy and Photoacoustic Imaging
por: Shen, Kaiwen, et al.
Publicado: (2019)

Basal Histamine H(4) Receptor Activation: Agonist Mimicry by the Diphenylalanine Motif
por: Wifling, David, et al.
Publicado: (2019)

Tetrafluoroaryl azide as an N-terminal capping group for click-to-dissolve diphenylalanine hydrogels
por: Dadhwal, Sumit, et al.
Publicado: (2020)

Metastable spiking networks in the replica-mean-field limit
por: Yu, Luyan, et al.
Publicado: (2022)

Assemblies of amyloid-β(30–36) hexamer and its G33V/L34T mutants by replica-exchange molecular dynamics simulation
por: Qian, Zhenyu, et al.
Publicado: (2017)

A replica exchange Monte Carlo algorithm for protein folding in the HP model
por: Thachuk, Chris, et al.
Publicado: (2007)

Replica Exchange Improves Sampling in Low-Resolution Docking Stage of RosettaDock
por: Zhang, Zhe, et al.
Publicado: (2013)

Cannot write session to /tmp/vufind_sessions/sess_u108is8hcknckd6aionivs5qpl