The Conformations of Amino Acids on a Gold(111) Surface

Toward Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study

(2009) Gongyi Hong et al.   ACS Applied Materials & Interfaces

Gold Nanoparticles Can Induce the Formation of Protein-based Aggregates at Physiological pH

(2009) Dongmao Zhang et al.   NANO LETTERS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces

(2008) F. Iori et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

(2008) F. Iori et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Unraveling the Interaction between Histidine Side Chain and the Au(111) Surface: A DFT Study

(2008) Francesco Iori et al.   Journal of Physical Chemistry C

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

(2008) Hendrik Heinz et al.   Journal of Physical Chemistry C

Competing Adsorption between Hydrated Peptides and Water onto Metal Surfaces: From Electronic to Conformational Properties

(2008) Luca M. Ghiringhelli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab InitioModeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces

(2008) Albert Rimola et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phenylalanine near Inorganic Surfaces:  Conformational Statistics vs Specific Chemistry

(2008) Luca M. Ghiringhelli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polypeptide Friction and Adhesion on Hydrophobic and Hydrophilic Surfaces: A Molecular Dynamics Case Study

(2008) Andreas Serr et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Molecular Conformations on the Adsorption Behavior of Gold-Binding Peptides

(2008) Marketa Hnilova et al.   LANGMUIR