Molecular dynamics simulations of peptide− surface interactions
Proteins, which are bioactive molecules, adsorb on implants placed in the body through
complex and poorly understood mechanisms and directly influence biocompatibility …
complex and poorly understood mechanisms and directly influence biocompatibility …
Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions
NA Vellore, JA Yancey, G Collier, RA Latour, SJ Stuart - Langmuir, 2010 - ACS Publications
In order to evaluate the transferability of existing empirical force fields for all-atom molecular
simulations of protein adsorption behavior, we have developed and applied a method to …
simulations of protein adsorption behavior, we have developed and applied a method to …
Correlation between desorption force measured by atomic force microscopy and adsorption free energy measured by surface plasmon resonance spectroscopy for …
Y Wei, RA Latour - Langmuir, 2010 - ACS Publications
Surface plasmon resonance (SPR) spectroscopy is a useful technique for
thermodynamically characterizing peptide− surface interactions; however, its usefulness is …
thermodynamically characterizing peptide− surface interactions; however, its usefulness is …
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 …
understood at this time regarding how to design surfaces to control protein adsorption …
Force fields for simulating the interaction of surfaces with biological molecules
The interaction of biomolecules with solid interfaces is of fundamental importance to several
emerging biotechnologies such as medical implants, anti-fouling coatings and novel …
emerging biotechnologies such as medical implants, anti-fouling coatings and novel …
Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces
G Collier, NA Vellore, JA Yancey, SJ Stuart… - Biointerphases, 2012 - pubs.aip.org
All-atom empirical molecular mechanics protein force fields, which have been developed to
represent the energetics of peptide folding behavior in aqueous solution, have not been …
represent the energetics of peptide folding behavior in aqueous solution, have not been …
Benchmark experimental data set and assessment of adsorption free energy for peptide− surface interactions
Y Wei, RA Latour - Langmuir, 2009 - ACS Publications
With the increasing interest in protein adsorption in fields ranging from bionanotechnology to
biomedical engineering, there is a growing need to understand protein− surface interactions …
biomedical engineering, there is a growing need to understand protein− surface interactions …
Modeling and simulation of protein–surface interactions: achievements and challenges
Understanding protein–inorganic surface interactions is central to the rational design of new
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …
Modeling of peptide adsorption interactions with a poly (lactic acid) surface
The biocompatibility of implanted materials and devices is governed by the conformation,
orientation, and composition of the layer of proteins that adsorb to the surface of the material …
orientation, and composition of the layer of proteins that adsorb to the surface of the material …
Determination of the adsorption free energy for peptide− surface interactions by SPR spectroscopy
Y Wei, RA Latour - Langmuir, 2008 - ACS Publications
To understand and predict protein adsorption behavior, we must first understand the
fundamental interactions between the functional groups presented by the amino acid …
fundamental interactions between the functional groups presented by the amino acid …