[HTML][HTML] A coarse grain model for protein-surface interactions

S Wei, TA Knotts - The Journal of chemical physics, 2013 - pubs.aip.org
The interaction of proteins with surfaces is important in numerous applications in many fields—
such as biotechnology, proteomics, sensors, and medicine—but fundamental understanding …

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 …

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 …

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 …

[HTML][HTML] Multiscale modeling of proteins interaction with functionalized nanoparticles

G Brancolini, V Tozzini - Current Opinion in Colloid & Interface Science, 2019 - Elsevier
Understanding protein interactions with inorganic nanoparticle is central to the rational
design of new tools in biomaterial sciences, nanobiotechnology, and nanomedicine …

Molecular dynamics simulation of protein adsorption at fluid interfaces: a comparison of all-atom and coarse-grained models

SR Euston - Biomacromolecules, 2010 - ACS Publications
The adsorption of LTP at the decane− water interface was modeled using all-atom and
coarse-grained (CG) molecular dynamics simulations. The CG model (300 ns simulation …

Mesoscopic coarse-grained simulations of lysozyme adsorption

G Yu, J Liu, J Zhou - The Journal of Physical Chemistry B, 2014 - ACS Publications
Coarse-grained simulations are adopted to study the adsorption behavior of lysozyme on
different (hydrophobic, neutral hydrophilic, zwitterionic, negatively charged, and positively …

Influence of solvent in controlling peptide–surface interactions

DA Cannon, N Ashkenasy, T Tuttle - The Journal of Physical …, 2015 - ACS Publications
Protein binding to surfaces is an important phenomenon in biology and in modern
technological applications. Extensive experimental and theoretical research has been …