Airborne transmission of COVID-19: aerosol dispersion, lung deposition, and virus-receptor interactions

YY Zuo, WE Uspal, T Wei - ACS nano, 2020 - ACS Publications
Coronavirus disease 2019 (COVID-19), due to infection by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), is now causing a global pandemic. Aerosol …

Protein interactions with polymer coatings and biomaterials

Q Wei, T Becherer, S Angioletti‐Uberti… - Angewandte Chemie …, 2014 - Wiley Online Library
Protein adsorption is considered to be the most important factor of the interaction between
polymeric biomaterials and body fluids or tissues. Water‐mediated hydrophobic and …

Strong surface hydration and salt resistant mechanism of a new nonfouling zwitterionic polymer based on protein stabilizer TMAO

H Huang, C Zhang, R Crisci, T Lu… - Journal of the …, 2021 - ACS Publications
Zwitterionic polymers exhibit excellent nonfouling performance due to their strong surface
hydrations. However, salt molecules may severely reduce the surface hydrations of typical …

Modeling and simulation of protein–surface interactions: achievements and challenges

M Ozboyaci, DB Kokh, S Corni… - Quarterly reviews of …, 2016 - cambridge.org
Understanding protein–inorganic surface interactions is central to the rational design of new
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …

Investigation of membrane fouling phenomenon using molecular dynamics simulations: A review

Y Ma, JW Chew - Journal of Membrane Science, 2022 - Elsevier
Membrane fouling remains a tremendous obstacle in the implementation of membrane
technology, which has motivated the use of a wide range of experimental techniques to …

Site-specific coupling of hydration water and protein flexibility studied in solution with ultrafast 2D-IR spectroscopy

JT King, KJ Kubarych - Journal of the American Chemical Society, 2012 - ACS Publications
There is considerable evidence for the slaving of biomolecular dynamics to the motions of
the surrounding solvent environment, but to date there have been few direct experimental …

Multiscale modeling and simulations of protein adsorption: progresses and perspectives

X Quan, J Liu, J Zhou - Current Opinion in Colloid & Interface Science, 2019 - Elsevier
Protein adsorption, which shows wide prospects in many practical applications such as
biosensors, biofuel cells, and biomaterials, has long been identified as a very complex …

Superior antifouling performance of a zwitterionic peptide compared to an amphiphilic, non-ionic peptide

H Ye, L Wang, R Huang, R Su, B Liu… - ACS applied materials …, 2015 - ACS Publications
The aim of this study was to explore the influence of amphiphilic and zwitterionic structures
on the resistance of protein adsorption to peptide self-assembled monolayers (SAMs) and …

Antifouling glycocalyx-mimetic peptoids

HO Ham, SH Park, JW Kurutz, IG Szleifer… - Journal of the …, 2013 - ACS Publications
The glycocalyx of the cell is composed of highly hydrated saccharidic groups conjugated to
protein and lipid cores. Although components of the glycocalyx are important in cell–cell …

Exhaustively sampling peptide adsorption with metadynamics

M Deighan, J Pfaendtner - Langmuir, 2013 - ACS Publications
Simulating the adsorption of a peptide or protein and obtaining quantitative estimates of
thermodynamic observables remains challenging for many reasons. One reason is the …