Antimicrobial peptides: an update on classifications and databases

A Bin Hafeez, X Jiang, PJ Bergen, Y Zhu - International journal of …, 2021 - mdpi.com
Antimicrobial peptides (AMPs) are distributed across all kingdoms of life and are an
indispensable component of host defenses. They consist of predominantly short cationic …

Exploring pathological link between antimicrobial and amyloid peptides

Y Tang, Y Zhang, D Zhang, Y Liu, R Nussinov… - Chemical Society …, 2024 - pubs.rsc.org
Amyloid peptides (AMYs) and antimicrobial peptides (AMPs) are considered as the two
distinct families of peptides, characterized by their unique sequences, structures, biological …

Molecular dynamics simulation of the interaction of two linear battacin analogs with model gram-positive and gram-negative bacterial cell membranes

A Chakraborty, E Kobzev, J Chan, GH de Zoysa… - ACS …, 2020 - ACS Publications
Antimicrobial peptides (AMPs) are a potential solution to the increasing threat of antibiotic
resistance, but successful design of active but nontoxic AMPs requires understanding their …

Molecular insights into pore formation mechanism, membrane perturbation, and water permeation by the antimicrobial peptide pleurocidin: a combined all-atom and …

R Talandashti, F Mehrnejad… - The Journal of …, 2021 - ACS Publications
The antimicrobial peptide (AMP) pleurocidin has a broad antimicrobial activity against Gram-
negative and Gram-positive bacteria by perturbation and permeabilizing their membranes; …

Design, screening, and testing of non-rational peptide libraries with antimicrobial activity: In silico and experimental approaches

PR Puentes, MC Henao, CE Torres, SC Gómez… - Antibiotics, 2020 - mdpi.com
One of the challenges of modern biotechnology is to find new routes to mitigate the
resistance to conventional antibiotics. Antimicrobial peptides (AMPs) are an alternative type …

Characterizing the interactions of cell-membrane-disrupting peptides with lipid-functionalized single-walled carbon nanotubes

A Yadav, P Kelich, N Kallmyer, NF Reuel… - ACS applied materials …, 2023 - ACS Publications
Lipid-functionalized single-walled carbon nanotubes (SWNTs) have garnered significant
interest for their potential use in a wide range of biomedical applications. In this work, we …

[HTML][HTML] Estimation of pore dimensions in lipid membranes induced by peptides and other biomolecules: A review

B Bertrand, R Garduño-Juárez… - Biochimica et Biophysica …, 2021 - Elsevier
The cytoplasmic membrane is one of the most frequent cell targets of antimicrobial peptides
(AMPs) and other biomolecules. Understanding the mechanism of action of AMPs at the …

Molecular simulation approaches to the study of thermotropic and lyotropic liquid crystals

MR Wilson, G Yu, TD Potter, M Walker, SJ Gray, J Li… - Crystals, 2022 - mdpi.com
Over the last decade, the availability of computer time, together with new algorithms capable
of exploiting parallel computer architectures, has opened up many possibilities in …

DPD simulations of anionic surfactant micelles: a critical role for polarisable water models

RL Hendrikse, C Amador, MR Wilson - Soft Matter, 2024 - pubs.rsc.org
We investigate the effects of polarisable water models in dissipative particle dynamics (DPD)
simulations, focussing on the influence these models have on the aggregation behaviour of …

Assessing the transferability of common top-down and bottom-up coarse-grained molecular models for molecular mixtures

TD Potter, J Tasche, MR Wilson - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
The performance of three methods for develo** new coarse-grained models for molecular
simulation is critically assessed. Two bottom-up approaches are employed: iterative …