Functional implications of dynamic structures of intrinsically disordered proteins revealed by high-speed AFM Imaging

T Ando - Biomolecules, 2022 - mdpi.com
The unique functions of intrinsically disordered proteins (IDPs) depend on their dynamic
protean structure that often eludes analysis. High-speed atomic force microscopy (HS-AFM) …

Dilute semiflexible polymers with attraction: Collapse, folding and aggregation

J Zierenberg, M Marenz, W Janke - Polymers, 2016 - mdpi.com
We review the current state on the thermodynamic behavior and structural phases of self-
and mutually-attractive dilute semiflexible polymers that undergo temperature-driven …

Direct visualization of bottlebrush polymer conformations in the solid state

JM Chan, AC Kordon, R Zhang… - Proceedings of the …, 2021 - National Acad Sciences
Although the behavior of single chains is integral to the foundation of polymer science, a
clear and convincing image of single chains in the solid state has still not been captured. For …

Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

UR Shrestha, JC Smith, L Petridis - Communications biology, 2021 - nature.com
Molecular dynamics (MD) simulation is widely used to complement ensemble-averaged
experiments of intrinsically disordered proteins (IDPs). However, MD often suffers from …

Glass transition temperature of (ultra-) thin polymer films

HP Hsu, K Kremer - The Journal of Chemical Physics, 2023 - pubs.aip.org
The glass transition temperature of confined and free-standing polymer films of varying
thickness is studied by extended molecular dynamics simulations of bead–spring chains …

A parallel fluid–solid coupling model using LAMMPS and Palabos based on the immersed boundary method

J Tan, TR Sinno, SL Diamond - Journal of computational science, 2018 - Elsevier
The study of viscous fluid flow coupled with rigid or deformable solids has many applications
in biological and engineering problems, eg, blood cell transport, drug delivery, and …

Step-growth polymerization of supracolloidal chains from patchy micelles of diblock copolymers

K Lee, BH Sohn - Journal of Colloid and Interface Science, 2023 - Elsevier
Hypothesis The formation of supracolloidal chains from the patchy micelles of diblock
copolymers bears a close resemblance to traditional step-growth polymerization of …

How does stiffness of polymer chains affect their adsorption transition?

A Milchev, K Binder - The Journal of chemical physics, 2020 - pubs.aip.org
The adsorption transition and the structure of semiflexible adsorbed macromolecules are
studied by a molecular dynamics simulation of a coarse-grained, bead-spring type model …

Understanding the properties of liquid-crystalline polymers by computational modeling

K Binder, SA Egorov, A Milchev… - Journal of Physics …, 2020 - iopscience.iop.org
A topical review of recent theoretical work on the properties of lyotropic solutions and melts
containing semiflexible polymers in thermal equilibrium is given, with a focus on the liquid …

Coupling between polymer conformations and dynamics near amorphous silica surfaces: A direct insight from atomistic simulations

P Bačová, W Li, AF Behbahani, C Burkhart, P Polińska… - Nanomaterials, 2021 - mdpi.com
The dynamics of polymer chains in the polymer/solid interphase region have been a point of
debate in recent years. Its understanding is the first step towards the description and the …