Selective adsorption of lattice peptides on patterned surfaces

Selective adsorption of lattice peptides on patterned surfaces.

To study the adsorption of individual peptides in implicit solvent, we propose a version of the Wang-Landau Monte Carlo algorithm that uses a single surface, with no need for a confining wall or grafting. Our "wall-free" method is both more efficient than the traditional ones and free of additional assumptions or approximations. We illustrate it by simulating an HP-model lattice peptide on plan...

Selective adsorption of block copolymers on patterned surfaces.

Adsorption of copolymers on patterned surfaces is studied using lattice modeling and multiple Markov chain Monte Carlo methods. The copolymer is composed of alternating blocks of A and B monomers, and the adsorbing surface is composed of alternating square blocks containing C and D sites. Effects of interaction specificity on the adsorbed pattern of the copolymer and the sharpness of the adsorp...

Adsorption of NGF and BDNF derived peptides on gold surfaces.

This study tackles the interaction between gold surfaces and two peptide fragments named NGF(1-14) and BDNF(1-12), able to mimic the proliferative activity of the nerve growth factor (NGF) and the brain derived neurotrophic factor (BDNF), respectively. The physical adsorption processes on the solid surface from both single and binary peptide solutions, at physiological and acid pH, were investi...

Designing pattern-recognition surfaces for selective adsorption of copolymer sequences using lattice monte carlo simulation.

We describe a simulation method to design surfaces for recognizing specific monomer sequences in copolymers. We fix the monomer sequence statistics of the AB copolymers on a surface containing two types of sites and allow the simulation to iterate towards an optimal surface pattern that can recognize and selectively adsorb the sequence in the copolymer. During the simulation the surface pattern...

Directional Wetting on Patterned Surfaces