Atomistic details of chymotrypsin conformational changes upon adsorption on silica

N Hildebrand, M Michaelis, N Wurzler, Z Li… - ACS Biomaterials …, 2018 - ACS Publications
Adsorption of enzymes on solid surfaces may lead to conformational changes that reduce
their catalytic conversion activity and are thus detrimental to the efficiency of biotechnology …

Computational prediction of circular dichroism spectra and quantification of helicity loss upon peptide adsorption on silica

RH Meißner, J Schneider, P Schiffels… - Langmuir, 2014 - ACS Publications
Circular dichroism (CD) spectroscopy is one of the few experimental techniques sensitive to
the structural changes that peptides undergo when they adsorb on inorganic material …

Agreement between experimental and simulated circular dichroic spectra of a positively charged peptide in aqueous solution and on self-assembled monolayers

JT First, LJ Webb - The Journal of Physical Chemistry B, 2019 - ACS Publications
Successfully immobilizing functional proteins on inorganic surfaces has long been a
challenge to the biophysics and bioengineering communities. This is due, in part, to a lack of …

Adsorption orientation and binding motifs of lysozyme and chymotrypsin on amorphous silica

N Hildebrand, S Köppen, L Derr, K Li… - The Journal of …, 2015 - ACS Publications
The adsorption of α-chymotrypsin and hen egg white lysozyme on amorphous silica is
studied by molecular dynamics (MD) simulations in comparison with adsorption …

Reversibility of the adsorption of lysozyme on silica

F Felsovalyi, P Mangiagalli, C Bureau, SK Kumar… - Langmuir, 2011 - ACS Publications
A central paradigm that underpins our understanding of the interaction of proteins with solid
surfaces is that protein adsorption leads to changes in secondary structure. The bound …

Impact of silane monolayers on the adsorption of streptavidin on silica and its subsequent interactions with biotin: molecular dynamics and steered molecular …

S Lecot, Y Chevolot, M Phaner-Goutorbe… - The Journal of …, 2020 - ACS Publications
Protein adsorption on surfaces is used in analytical tools as an immobilization mean to trap
the analyte to be detected. However, protein adsorption can lead to a conformational …

Physisorption of α-chymotrypsin on SiO2 and TiO2: A comparative study via experiments and molecular dynamics simulations

L Derr, N Hildebrand, S Köppen, S Kunze, L Treccani… - …, 2016 - pubs.aip.org
In order to understand fundamental interactions at the interface between immobilized
enzymes and ceramic supports, the authors compare the adsorption features of …

Calculations of protein circular dichroism from first principles

DM Rogers, JD Hirst - Chirality: The Pharmacological …, 2004 - Wiley Online Library
Understanding the relationship between the amino acid sequence of a protein and its
unique, compact 3D structure is one of the grand challenges in molecular biophysics. One …

Structural changes of T4 lysozyme upon adsorption to silica nanoparticles measured by circular dichroism

P Billsten, M Wahlgren, T Arnebrant, J McGuire… - Journal of colloid and …, 1995 - Elsevier
The change in the secondary structure of T4 lysozyme upon adsorption to silica particles
was studied with circular dichroism. Two different mutants of the protein along with the wild …

Prediction of specific biomolecule adsorption on silica surfaces as a function of pH and particle size

FS Emami, V Puddu, RJ Berry, V Varshney… - Chemistry of …, 2014 - ACS Publications
Silica nanostructures are biologically available and find wide applications for drug delivery,
catalysts, separation processes, and composites. However, specific adsorption of …