pH-induced changes in polypeptide conformation: Force-field comparison with experimental validation

P Batys, M Morga, P Bonarek… - The Journal of Physical …, 2020 - ACS Publications
Microsecond-long all-atom molecular dynamics (MD) simulations, circular dichroism, laser
Doppler velocimetry, and dynamic light-scattering techniques have been used to investigate …

Poly-L-arginine molecule properties in simple electrolytes: molecular dynamic modeling and experiments

M Morga, P Batys, D Kosior, P Bonarek… - International journal of …, 2022 - mdpi.com
Physicochemical properties of poly-L-arginine (P-Arg) molecules in NaCl solutions were
determined by molecular dynamics (MD) modeling and various experimental techniques …

Molecular mechanisms of pH-tunable stability and surface coverage of polypeptide films

AL Harmat, M Morga, JL Lutkenhaus, P Batys… - Applied Surface …, 2023 - Elsevier
Streaming potential and quartz crystal microbalance measurements, combined with all-atom
molecular dynamics simulations, were used to study the pH dependency of the adsorption of …

Hydrodynamic solvation of poly (amido amine) dendrimer monolayers on silica

A Michna, A Pomorska, M Nattich-Rak… - The Journal of …, 2020 - ACS Publications
Adsorption of poly (amido amine) dendrimers (G8 generation) on silica substrates was
studied by atomic force microscopy (AFM), quartz crystal microbalance (QCM), and optical …

Effect of the anchoring layer and transport type on the adsorption kinetics of lambda carrageenan

A Michna, J Maciejewska-Prończuk… - The Journal of …, 2021 - ACS Publications
The kinetics of lambda carrageenan (λ-car) adsorption/desorption on/from anchoring layers
under diffusion-and convection-controlled transport conditions were investigated. The eighth …

Molecular dynamics simulations on the effect of peptide secondary structure and substrate charge on adsorption at silica surface

A Harmat - 2021 - aaltodoc.aalto.fi
Polypeptide (PP) adsorption is extensively studied due to the wide range of applications of
PP layered surfaces in biotechnology and medical fields. The PP layer on the substrate …