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 …

Molecular simulation of protein-surface interactions: Benefits, problems, solutions, and future directions

RA Latour - Biointerphases, 2008 - pubs.aip.org
While the importance of protein adsorption to materials surfaces is widely recognized, little is
understood at this time regarding how to design surfaces to control protein adsorption …

Molecular dynamics simulations of peptide− surface interactions

VP Raut, MA Agashe, SJ Stuart, RA Latour - Langmuir, 2005 - ACS Publications
Proteins, which are bioactive molecules, adsorb on implants placed in the body through
complex and poorly understood mechanisms and directly influence biocompatibility …

Impact of surface interactions on protein conformation

DF Marruecos, DK Schwartz, JL Kaar - Current Opinion in Colloid & …, 2018 - Elsevier
Highlights•The mechanistic understanding of protein unfolding on surfaces remains
incomplete.•Lack of understanding has hindered the use of materials in biological …

The interaction of proteins with solid surfaces

JJ Gray - Current opinion in structural biology, 2004 - Elsevier
The interaction of proteins with solid surfaces is a fundamental phenomenon with
implications for nanotechnology, biomaterials and biotechnological processes. Kinetic and …

Simulation of peptide–surface recognition

R Di Felice, S Corni - The Journal of Physical Chemistry Letters, 2011 - ACS Publications
The interaction between proteins and the surfaces of inorganic materials is of paramount
importance in natural systems. In recent years, the scope of polypeptide–surface interactions …

Computer simulation of polypeptide adsorption on model biomaterials

F Ganazzoli, G Raffaini - Physical chemistry chemical physics, 2005 - pubs.rsc.org
When biomaterials are inserted in a biological environment, for instance in a body implant,
proteins do quickly adsorb on the exposed surface. Such process is of fundamental …

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 …

Protein adsorption in three dimensions

EA Vogler - Biomaterials, 2012 - Elsevier
Recent experimental and theoretical work clarifying the physical chemistry of blood-protein
adsorption from aqueous-buffer solution to various kinds of surfaces is reviewed and …

Fundamental principles of the thermodynamics and kinetics of protein adsorption to material surfaces

RA Latour - Colloids and surfaces B: biointerfaces, 2020 - Elsevier
Protein adsorption is important for essentially any process that involves the contact of a
protein-containing solution and a material surface, with the resulting formation of the …