Site-selective orientated immobilization of antibodies and conjugates for immunodiagnostics development

M Shen, JF Rusling, CK Dixit - Methods, 2017 - Elsevier
Immobilized antibody systems are the key to develop efficient diagnostics and separations
tools. In the last decade, developments in the field of biomolecular engineering and …

Free energies of the disassembly of viral capsids from a multiscale molecular simulation approach

M Martínez, CD Cooper, AB Poma… - Journal of chemical …, 2019 - ACS Publications
Molecular simulations of large biological systems, such as viral capsids, remains a
challenging task in soft matter research. On one hand, coarse-grained (CG) models attempt …

Adsorption of lysozyme into a charged confining pore

DLZ Caetano, R Metzler, AG Cherstvy… - Physical Chemistry …, 2021 - pubs.rsc.org
Several applications arise from the confinement of proteins on surfaces because their
stability and biological activity are enhanced. It is also known that the way in which a protein …

Quantitative electrostatic force tomography for virus capsids in interaction with an approaching nanoscale probe

CD Cooper, I Addison-Smith, HV Guzman - Nanoscale, 2022 - pubs.rsc.org
Electrostatic interactions are crucial for the assembly, disassembly and stability of
proteinaceous viral capsids. Moreover, at the molecular scale, elucidating the organization …

Modeling of the electrostatic interaction and catalytic activity of [NiFe] hydrogenases on a planar electrode

MA Ruiz-Rodríguez, CD Cooper… - The Journal of …, 2022 - ACS Publications
Hydrogenases are a group of enzymes that have caught the interest of researchers in
renewable energies, due to their ability to catalyze the redox reaction of hydrogen. The …

Predicting the orientation of adsorbed proteins steered with electric fields using a simple electrostatic model

SA Urzúa, PY Sauceda-Oloño, CD García… - The Journal of …, 2022 - ACS Publications
Under the most common experimental conditions, the adsorption of proteins to solid
surfaces is a spontaneous process that leads to a rather compact layer of randomly oriented …

Accurate Boundary Integral Formulations for the Calculation of Electrostatic Forces with an Implicit-Solvent Model

I Addison-Smith, HV Guzman… - Journal of Chemical …, 2023 - ACS Publications
An accurate force calculation with the Poisson–Boltzmann equation is challenging, as it
requires the electric field on the molecular surface. Here we present a calculation of the …

Poisson–Boltzmann model for protein–surface electrostatic interactions and grid-convergence study using the PyGBe code

CD Cooper, LA Barba - Computer Physics Communications, 2016 - Elsevier
Interactions between surfaces and proteins occur in many vital processes and are crucial in
biotechnology: the ability to control specific interactions is essential in fields like …

Tethering of the IgG1 antibody to amorphous silica for immunosensor development: a molecular dynamics study

D Marti, J Ainsley, O Ahumada, C Aleman, J Torras - Langmuir, 2020 - ACS Publications
A key factor for improving the sensitivity and performance of immunosensors based on
mechanical–plasmonic methods is the orientation of the antibody proteins immobilized on …

Orienting proteins by nanostructured surfaces: evidence of a curvature-driven geometrical resonance

GML Messina, G Bocchinfuso, N Giamblanco… - Nanoscale, 2018 - pubs.rsc.org
Experimental and theoretical reports have shown that nanostructured surfaces have a
dramatic effect on the amount of protein adsorbed and the conformational state and, in turn …