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 …
and in modern biotechnological applications. Therefore, peptides have been engineered to …
The conformations of amino acids on a gold (111) surface
M Hoefling, F Iori, S Corni, KE Gottschalk - ChemPhysChem, 2010 - Wiley Online Library
The interactions of amino acids with inorganic surfaces are of interest for biologists and
biotechnologists alike. However, the structural determinants of peptide–surface interactions …
biotechnologists alike. However, the structural determinants of peptide–surface interactions …
Interaction of β-sheet folds with a gold surface
The adsorption of proteins on inorganic surfaces is of fundamental biological importance.
Further, biomedical and nanotechnological applications increasingly use interfaces between …
Further, biomedical and nanotechnological applications increasingly use interfaces between …
First-principles-based force field for the interaction of proteins with Au (100)(5× 1): an extension of GolP-CHARMM
LB Wright, PM Rodger, TR Walsh… - The Journal of Physical …, 2013 - ACS Publications
Noncovalent recognition between peptides and inorganic materials is an established
phenomenon. Key to exploiting these interactions in a wide range of materials self-assembly …
phenomenon. Key to exploiting these interactions in a wide range of materials self-assembly …
Hydroxyl-rich β-sheet adhesion to the gold surface in water by first-principle simulations
A Calzolari, G Cicero, C Cavazzoni… - Journal of the …, 2010 - ACS Publications
Proteins able to recognize inorganic surfaces are of paramount importance for living
organisms. Mimicking nature, surface-recognizing proteins and peptides have also been …
organisms. Mimicking nature, surface-recognizing proteins and peptides have also been …
GolP-CHARMM: First-principles based force fields for the interaction of proteins with Au (111) and Au (100)
LB Wright, PM Rodger, S Corni… - Journal of chemical …, 2013 - ACS Publications
Computational simulation of peptide adsorption at the aqueous gold interface is key to
advancing the development of many applications based on gold nanoparticles, ranging from …
advancing the development of many applications based on gold nanoparticles, ranging from …
Toward understanding amino acid adsorption at metallic interfaces: a density functional theory study
In examining adsorption of a few selected single amino acids on Au and Pd cluster models
by density functional theory calculations, we have shown that specific side-chain binding …
by density functional theory calculations, we have shown that specific side-chain binding …
Peptide interactions with metal and oxide surfaces
A Vallee, V Humblot, CM Pradier - Accounts of Chemical …, 2010 - ACS Publications
Increasing interest in bio-interfaces for medical, diagnostic, or biotechnology applications
has highlighted the critical scientific challenge behind both the understanding and control of …
has highlighted the critical scientific challenge behind both the understanding and control of …
Investigating the specificity of peptide adsorption on gold using molecular dynamics simulations
We report all-atom molecular dynamics simulations following adsorption of gold-binding and
non-gold-binding peptides on gold surfaces modeled with dispersive interactions. We …
non-gold-binding peptides on gold surfaces modeled with dispersive interactions. We …
Unraveling the interaction between histidine side chain and the Au (111) surface: a DFT study
F Iori, S Corni, R Di Felice - The Journal of Physical Chemistry C, 2008 - ACS Publications
The interaction between proteins and the surfaces of inorganic materials is of great
importance in natural systems and a long studied topic. What is yet to be fully understood is …
importance in natural systems and a long studied topic. What is yet to be fully understood is …