Molecular dynamic simulation of polymer and polymer-oxide nanoclusters

Reordering hydrogen bonds using hamiltonian replica exchange enhances sampling of conformational changes in biomolecular systems

Numerical Performance of a Parallel Solution Method for a heterogeneous 2D Helmholtz Equation

Fast in silico protein folfing by introduction of alternating hydrogen bond potentials

Concentration dependence of alpha-synuclein fibril length assessed by quantitative atomic force microscopy and statistical-mechanical theory

A novel approach to study protein folding in atomic detail with explicit solvent: hydrogen bond REMD

Quantitative prediction of amyloid fibril growth of short peptides from simulations: calculating association constants to dissect side chain importance

Simulate protein folding with alternating hydrogen bond potentials

Rapid free energy calculation of peptide self-assembly by REMD umbrella sampling

Modeling amyloid fybril formation: A free-energy approach

Improved hydrogen bond potentials to assess in silico protein folding

Simulating protein folding with alternating hydrogen bond potentials

Molecular dynamics simulation of poly(p-xylene) and poly(p-xylylene) + TiO2 small aggregates

Local field controlled switching in a one-dimensional dipolar array

Molecular dynamics simulation of poly(p-xylene) and poly(p-xylylene) + TiO2 small aggregates

Protein folding using activated hydroogen bonding

Molecular dynamics simulation of poly(p-xylene) and poly(p-xylylene) + TiO2 small aggregates

Simulate protein folding with alternating hydroogen bond potentials

Molecular-dym amics simulation of nanoclusters of crystal modifications of titanium dioxide

Optimizing transport in nanostructured catalysts: a computational study