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 …
Perspectives on the simulation of protein–surface interactions using empirical force field methods
RA Latour - Colloids and Surfaces B: Biointerfaces, 2014 - Elsevier
Protein–surface interactions are of fundamental importance for a broad range of applications
in the fields of biomaterials and biotechnology. Present experimental methods are limited in …
in the fields of biomaterials and biotechnology. Present experimental methods are limited in …
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 …
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 …
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 …
[HTML][HTML] A coarse grain model for protein-surface interactions
The interaction of proteins with surfaces is important in numerous applications in many fields—
such as biotechnology, proteomics, sensors, and medicine—but fundamental understanding …
such as biotechnology, proteomics, sensors, and medicine—but fundamental understanding …
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 …
Hydrophobic force field as a molecular alternative to surface-area models
G Hummer - Journal of the American Chemical Society, 1999 - ACS Publications
An effective force field for hydrophobic interactions is developed based on a modified
potential-of-mean-force (PMF) expansion of the effective many-body interactions between …
potential-of-mean-force (PMF) expansion of the effective many-body interactions between …
Multiscale modeling and simulations of protein adsorption: progresses and perspectives
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 …
biosensors, biofuel cells, and biomaterials, has long been identified as a very complex …
Computer simulation of protein adsorption to a material surface in aqueous solution: biomaterials modeling of a ternary system
AN Cormack, RJ Lewis… - The Journal of Physical …, 2004 - ACS Publications
Biomaterals are often in contact with the body or body fluids, so interfacial phenomena,
especially protein adsorption, control essential parameters, such as biocompatability and …
especially protein adsorption, control essential parameters, such as biocompatability and …
相关搜索
- simulation of protein surface interactions
- material surface protein adsorption
- surface area molecular alternative
- material surface computer simulation
- protein adsorption computer simulation
- material surface aqueous solution
- protein adsorption aqueous solution
- aqueous solution computer simulation
- molecular simulation protein surface
- perspectives on the simulation surface interactions