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 …
importance in natural systems. In recent years, the scope of polypeptide–surface interactions …
Influence of solvent in controlling peptide–surface interactions
Protein binding to surfaces is an important phenomenon in biology and in modern
technological applications. Extensive experimental and theoretical research has been …
technological applications. Extensive experimental and theoretical research has been …
Protein–surface interactions: challenging experiments and computations
O Cohavi, S Corni, F De Rienzo… - Journal of Molecular …, 2010 - Wiley Online Library
Protein–surface interactions are fundamental in natural processes, and have great potential
for applications ranging from nanotechnology to medicine. A recent workshop highlighted …
for applications ranging from nanotechnology to medicine. A recent workshop highlighted …
Experimental characterization and simulation of amino acid and peptide interactions with inorganic materials
S Schwaminger, SA Blank‐Shim… - Engineering in Life …, 2018 - Wiley Online Library
Inspired by nature, many applications and new materials benefit from the interplay of
inorganic materials and biomolecules. A fundamental understanding of complex organic …
inorganic materials and biomolecules. A fundamental understanding of complex organic …
Pathways to structure–property relationships of peptide–materials interfaces: Challenges in predicting molecular structures
TR Walsh - Accounts of Chemical Research, 2017 - ACS Publications
Conspectus An in-depth appreciation of how to manipulate the molecular-level recognition
between peptides and aqueous materials interfaces, including nanoparticles, will advance …
between peptides and aqueous materials interfaces, including nanoparticles, will advance …
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 …
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 …
ProMetCS: An atomistic force field for modeling protein− metal surface interactions in a continuum aqueous solvent
In order to study protein− inorganic surface association processes, we have developed a
physics-based energy model, the ProMetCS model, which describes protein− surface …
physics-based energy model, the ProMetCS model, which describes protein− surface …
Organic–inorganic interface simulation for new material discoveries
SK Ramakrishnan, J Zhu… - Wiley Interdisciplinary …, 2017 - Wiley Online Library
Organic–inorganic interactions are of high importance in several biological processes and in
modern nanobiotechnological applications. Despite its significance in interface sciences, the …
modern nanobiotechnological applications. Despite its significance in interface sciences, the …
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 …