Understanding protein adsorption phenomena at solid surfaces

M Rabe, D Verdes, S Seeger - Advances in colloid and interface science, 2011 - Elsevier
Protein adsorption at solid surfaces plays a key role in many natural processes and has
therefore promoted a widespread interest in many research areas. Despite considerable …

Biointerface structural effects on the properties and applications of bioinspired peptide-based nanomaterials

TR Walsh, MR Knecht - Chemical reviews, 2017 - ACS Publications
Peptide sequences are known to recognize and bind different nanomaterial surfaces, which
has resulted in the screening and identification of hundreds of peptides with the ability to …

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 …

Multiscale simulation of soft matter systems–from the atomistic to the coarse-grained level and back

C Peter, K Kremer - Soft Matter, 2009 - pubs.rsc.org
Many physical phenomena and properties of soft matter systems such as synthetic or
biological materials are governed by interactions and processes on a wide range of length …

Solvent effects on catalytic reactions and related phenomena at liquid-solid interfaces

G Li, B Wang, DE Resasco - Surface Science Reports, 2021 - Elsevier
Catalytic reactions involve the direct interaction of reactants, intermediates and products with
the catalyst surface. We not only need to control the atomic structure and electronic …

Interaction of amino acids with the Au (111) surface: adsorption free energies from molecular dynamics simulations

M Hoefling, F Iori, S Corni, KE Gottschalk - Langmuir, 2010 - ACS Publications
Interactions of proteins with inorganic surfaces are of high importance in biological events
and in modern biotechnological applications. Therefore, peptides have been engineered to …

Adaptive resolution molecular dynamics simulation through coupling<? format?> to an internal particle reservoir

S Fritsch, S Poblete, C Junghans, G Ciccotti… - Physical review …, 2012 - APS
For simulation studies of (macro) molecular liquids it would be of significant interest to be
able to adjust or increase the level of resolution within one region of space, while allowing …

Docking of ubiquitin to gold nanoparticles

G Brancolini, DB Kokh, L Calzolai, RC Wade, S Corni - ACS nano, 2012 - ACS Publications
Protein–nanoparticle associations have important applications in nanoscience and
nanotechnology such as targeted drug delivery and theranostics. However, the mechanisms …

Specific material recognition by small peptides mediated by the interfacial solvent structure

J Schneider, L Colombi Ciacchi - Journal of the American …, 2012 - ACS Publications
We present evidence that specific material recognition by small peptides is governed by
local solvent density variations at solid/liquid interfaces, sensed by the side-chain residues …

Polymer/nanoparticle interactions: bridging the gap

YN Pandey, GJ Papakonstantopoulos… - …, 2013 - ACS Publications
Materials created by dispersing nanoparticles in a polymer matrix strive to meet the promise
of enhanced and often unique properties at a reduced cost. The availability of structure …