Assessment of a Novel Enhanced Sampling Method for Molecular Simulations of Peptide-membrane Interactions

QR Code

Assessment of a Novel Enhanced Sampling Method for Molecular Simulations of Peptide-membrane Interactions

Gomesin is a spider-derived peptide with anti-microbial and anti-cancer properties which, like other such peptides, acts by permeabilising cell membranes. A new computer simulation approach was developed and tested to describe the interaction of Gomesin with model membranes. The findings will assist...

Full description

Bibliographic Details
Main Author:	Tanner, John Douglas
Format:	Thesis
Published:	Curtin University 2020
Online Access:	http://hdl.handle.net/20.500.11937/81846

Similar Items

Molecular simulations of venom peptide-membrane interactions: Progress and challenges
by: Deplazes, Evelyne
Published: (2018)

Development of a novel approach for efficient sampling of bio-molecular structure and interactions using Molecular dynamics simulations
by: Kapakayala, Anji Babu
Published: (2022)

Characterising Interactions Between Amyloid-beta 42 and Amylin Peptide Heterodimers: A Molecular Simulation Approach
by: Sonar, Krushna Satish
Published: (2022)

The Importance of Peptide-Membrane Interactions in Toxin Inhibitions of Sodium Channels
by: Schroeder, C., et al.
Published: (2017)

Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes
by: Hughes, Zak, et al.
Published: (2012)

Molecular dynamics simulations of CXCL-8 and its interactions with a receptor peptide, heparin fragments and sulfated cyclitols.
by: Gandhi, Neha, et al.
Published: (2011)

Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane
by: Hughes, Zak, et al.
Published: (2011)

The Use of Peptide-Membrane Interactions in the Design of Selective and Potent Sodium Channel Inhibitors
by: Schroeder, C., et al.
Published: (2018)

Angiotensin converting enzyme (ACE)-peptide interactions: inhibition kinetics, in silico molecular docking and stability study of three novel peptides generated from palm kernel cake proteins
by: Zarei, Mohammad, et al.
Published: (2019)

Molecular docking studies on the interaction of anti-alzheimer compounds with amyloid beta peptides
by: Faujan, Nur Hana, et al.
Published: (2019)

A systematic review of the molecular simulation of hybrid membranes for performance enhancements and contaminant removals
by: Yee, Cia Yin, et al.
Published: (2022)

Molecular Dynamics Simulation of the Permeation of Lipid- Conjugated Peptides through the Stratum Corneum
by: Ruiz Perez, Lanie
Published: (2021)

Computational Methods for the Prediction of the Structure and Interactions of Coiled-Coil Peptides
by: Gandhi, Neha, et al.
Published: (2008)

Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment
by: Lyons, Albert, et al.
Published: (2014)

Low molecular weight nucleoside gelator: A novel approach for protein and peptide aggregation inhibition
by: Johnson, Litty
Published: (2019)

Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain
by: Hussain, A., et al.
Published: (2011)

Comparing the Ability of Enhanced Sampling Molecular Dynamics Methods to Reproduce the Behavior of Fluorescent Labels on Proteins
by: Walczewska-Szewc, K., et al.
Published: (2015)

Effect of sample storage conditions on the molecular assessment of MIC
by: Machuca Suarez, Laura, et al.
Published: (2018)

Efficacy of antibacterial peptides against peptide-resistant mrsa is restored by permeabilization of bacteria membranes
by: Ravensdale, J., et al.
Published: (2016)

Molecular dynamics simulation of tau peptides for the investigation of conformational changes induced by specific phosphorylation patterns
by: Gandhi, N., et al.
Published: (2017)

Molecular dynamics simulation of collagen binding to an amyloid-beta monomer and its effect on the peptide structure
by: Zakaria, Norzalina, et al.
Published: (2021)

The Biological and Biophysical Properties of the Spider Peptide Gomesin
by: Tanner, J., et al.
Published: (2018)

Assessment of the reliability of a novel self-sampling device for performing cervical sampling in Malaysia
by: Abd Latiff, Latiffah, et al.
Published: (2015)

Characterization of molecular interactions of small molecules with model cell membranes
by: Martinotti, Carlo
Published: (2021)

Sidekick for membrane simulations: automated ensemble molecular dynamics simulations of transmembrane helices
by: Hall, Benjamin A., et al.
Published: (2014)

Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps)
by: Gandhi, Neha, et al.
Published: (2018)

The development of novel solid phase methodologies for the synthesis of atypical peptides and non-peptide entities
by: Kellam, Barrie
Published: (1996)

Molecular interaction of patchouli extraction process using molecular dynamic simulation approach
by: Siti Hana, Abu Bakar
Published: (2014)

Macrocyclic peptides as inhibitors of protein-protein interactions
by: Smith, Frances
Published: (2020)

Development of novel carriers for transdermal delivery of peptides
by: Namjoshi, Sarika M
Published: (2009)

Promoting transparency and reproducibility in enhanced molecular simulations
by: Bonomi, M., et al.
Published: (2019)

Interaction of monomeric Ebola VP40 protein with a plasma membrane: a coarse-grained molecular dynamics (CGMD) simulation study
by: Mohamad Yusoff, Mohamad Ariff, et al.
Published: (2018)

Molecular analyses of nonribosomal peptide synthetase in Ganoderma boninense
by: Chua, Jackie
Published: (2015)

Computing the two-dimensional infrared spectra of proteins and small peptides using the exciton approach and molecular dynamics simulations
by: Husseini, Fouad
Published: (2017)

Probing polyoxometalate-protein interactions using molecular dynamics simulations
by: Solé-Daura, Albert, et al.
Published: (2016)

Molecular simulation between amyloid beta (1-42), a Peptide associated with alzheimer disease, and zinc(ii) ion
by: Abdul Ghani, Nur Syafiqah
Published: (2016)

Structural analysis of peptides that interact with Newcastle disease virus
by: Chia, Suet Lin, et al.
Published: (2004)

The development of novel antimicrobial peptides with activity against MRSA
by: Pritchard, Kevin
Published: (2008)

Novel peptides that inhibit the propagation of Newcastle disease virus
by: Ramanujam, P., et al.
Published: (2002)

Docking And Molecular Dynamics Simulation Studies Of Insulin-Β-Cyclodextrin Interactions
by: Muhammad, Erma Fatiha
Published: (2016)

Cannot write session to /tmp/vufind_sessions/sess_4jeiqhqjrglt21r9aqgec9c7jd