Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior

MSCALE: A General Utility for Multiscale Modeling

(2011) H. Lee Woodcock et al.   Journal of Chemical Theory and Computation

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

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

(2010) Nadeem A. Vellore et al.   LANGMUIR

Molecular simulation of protein-surface interactions: Benefits, problems, solutions, and future directions (Review)

(2009) Robert A. Latour   Biointerphases

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2009) Yang Wei et al.   LANGMUIR

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

(2008) Feng Wang et al.   Biointerphases

Influence of alkanethiol self-assembled monolayers with various tail groups on structural and dynamic properties of water films

(2008) An-Cheng Yang et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Yang Wei et al.   LANGMUIR

Short-Range Forces between Glass Surfaces in Aqueous Solutions

(2008) Sergio M. Acuña et al.   LANGMUIR

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

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