Development of a Tuned Interfacial Force Field Parameter Set for the Simulation of Protein Adsorption to Silica Glass

Determination of Peptide–Surface Adsorption Free Energy for Material Surfaces Not Conducive to SPR or QCM using AFM

(2012) Aby A. Thyparambil et al.   LANGMUIR

Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

(2011) A. A. Skelton et al.   Journal of Physical Chemistry C

Nanodetoxification: emerging role of nanomaterials in drug intoxication treatment

(2011) Lauren M Graham et al.   Nanomedicine

Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atoms

(2010) Jeremy A. Yancey et al.   Biointerphases

Solution Study of Engineered Quartz Binding Peptides Using Replica Exchange Molecular Dynamics

(2010) Rebecca Notman et al.   BIOMACROMOLECULES

Simulation Study of the Silicon Oxide and Water Interface

(2010) Christian D. Lorenz et al.   Journal of Computational and Theoretical Nanoscience

Assessment of the Transferability of a Protein Force Field for the Simulation of Peptide-Surface Interactions

(2010) Nadeem A. Vellore et al.   LANGMUIR

Correlation between Desorption Force Measured by Atomic Force Microscopy and Adsorption Free Energy Measured by Surface Plasmon Resonance Spectroscopy for Peptide−Surface Interactions

(2010) Yang Wei et al.   LANGMUIR

Affinity Scale for the Interaction of Amino Acids with Silica Surfaces

(2009) Albert Rimola et al.   Journal of Physical Chemistry C

Benchmark Experimental Data Set and Assessment of Adsorption Free Energy for Peptide−Surface Interactions

(2009) Yang Wei et al.   LANGMUIR

The Bacillus anthracis spore

(2009) Adam Driks   MOLECULAR ASPECTS OF MEDICINE

Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics

(2008) Feng Wang et al.   Biointerphases

Investigating Alanine–Silica Interaction by Means of First-Principles Molecular-Dynamics Simulations

(2008) Marco Nonella et al.   CHEMPHYSCHEM

Amino Acid Adsorption on Mesoporous Materials:  Influence of Types of Amino Acids, Modification of Mesoporous Materials, and Solution Conditions

(2008) Qiang Gao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics of Ionic Transport and Electrokinetic Effects in Realistic Silica Channels

(2008) Christian D. Lorenz et al.   Journal of Physical Chemistry C

Determination of the Adsorption Free Energy for Peptide−Surface Interactions by SPR Spectroscopy

(2008) Yang Wei et al.   LANGMUIR

Modeling of Peptide Adsorption Interactions with a Poly(lactic acid) Surface

(2008) C. P. O’Brien et al.   LANGMUIR

Wettability of a Glass Surface in the Presence of Two Nonionic Surfactant Mixtures

(2008) Katarzyna Szymczyk et al.   LANGMUIR

DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface

(2008) Dominique Costa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS