Biodielectrics: old wine in a new bottle?
Biodielectrics is a subset of biological and/or bioinspired materials that has brought a huge
transformation in the advancement of medical science, such as localized drug delivery in …
transformation in the advancement of medical science, such as localized drug delivery in …
Molecular self-assembled helix peptide nanotubes based on some amino acid molecules and their dipeptides: molecular modeling studies
VS Bystrov - Journal of Molecular Modeling, 2024 - Springer
Context The paper considers the features of the structure and dipole moments of several
amino acids and their dipeptides which play an important role in the formation of the peptide …
amino acids and their dipeptides which play an important role in the formation of the peptide …
Structures and properties of the self-assembling diphenylalanine peptide nanotubes containing water molecules: Modeling and data analysis
The structures and properties of the diphenylalanine (FF) peptide nanotubes (PNTs), both L-
chiral and D-chiral (L-FF and D-FF) and empty and filled with water/ice clusters, are …
chiral and D-chiral (L-FF and D-FF) and empty and filled with water/ice clusters, are …
Modeling of self-assembled peptide nanotubes and determination of their chirality sign based on dipole moment calculations
V Bystrov, A Sidorova, A Lutsenko, D Shpigun… - Nanomaterials, 2021 - mdpi.com
The chirality quantification is of great importance in structural biology, where the differences
in proteins twisting can provide essentially different physiological effects. However, this …
in proteins twisting can provide essentially different physiological effects. However, this …
Molecular modelling and computational studies of peptide diphenylalanine nanotubes, containing waters: structural and interactions analysis
VS Bystrov, SV Filippov - Journal of Molecular Modeling, 2022 - Springer
The work is devoted to computer studies of the structural and physical properties of such self-
organizing structures as peptide nanotubes (PNT) based on diphenylalanine (FF) dipeptide …
organizing structures as peptide nanotubes (PNT) based on diphenylalanine (FF) dipeptide …
Modeling and physical properties of diphenylalanine peptide nanotubes containing water molecules
VS Bystrov, J Coutinho, OA Zhulyabina, SA Kopyl… - …, 2021 - Taylor & Francis
DFT (VASP) and semi-empirical (HyperChem) calculations for the D-chiral diphenylalanine
(D-FF) peptide nanotube (PNT) structures, empty and filled with water/ice clusters, are …
(D-FF) peptide nanotube (PNT) structures, empty and filled with water/ice clusters, are …
Molecular Dynamics Simulation of Self-Assembly Processes of Diphenylalanine Peptide Nanotubes and Determination of Their Chirality
V Bystrov, I Likhachev, S Filippov, E Paramonova - Nanomaterials, 2023 - mdpi.com
In this work, we further developed a new approach for modeling the processes of the self-
assembly of complex molecular nanostructures using molecular dynamics methods; in …
assembly of complex molecular nanostructures using molecular dynamics methods; in …
Chirality As a Symmetric Basis of Self-Organization of Biomacromolecules
VA Tverdislov, AE Sidorova, OE Bagrova, EV Belova… - Biophysics, 2022 - Springer
A review of materials within the concept of chirality as a symmetric basis of self-organization
in biomacromolecules is presented. The following topics are considered: methods for …
in biomacromolecules is presented. The following topics are considered: methods for …
Molecular modeling and computational study of the chiral-dependent structures and properties of the self-assembling diphenylalanine peptide nanotubes, containing …
VS Bystrov, J Coutinho, PS Zelenovskiy… - Journal of Molecular …, 2020 - Springer
DFT (VASP) and semi-empirical (HyperChem) calculations for the l-and d-chiral
diphenylalanine (l-FF and d-FF) nanotube (PNT) structures, empty and filled with water/ice …
diphenylalanine (l-FF and d-FF) nanotube (PNT) structures, empty and filled with water/ice …
A visual differential analysis of structural features of internal cavities in two chiral forms of diphenylalanine nanotubes
SV Filippov, VS Bystrov - Biophysics, 2020 - Springer
An original method for visual-differential analysis of conformational features in (bio)
macromolecular structures is applied to theoretical study of the differences between the …
macromolecular structures is applied to theoretical study of the differences between the …