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SW de Leeuw

147 records found

Molecular dynamic simulation of polymer and polymer-oxide nanoclusters

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

Simulating protein folding with alternating hydrogen bond potentials

Fast in silico protein folfing by introduction of alternating hydrogen bond potentials
Journal article (2008) - MG Wolf (author), SW de Leeuw (author)

Modeling amyloid fybril formation: A free-energy approach

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

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

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

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

Simulate protein folding with alternating hydrogen bond potentials

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

Improved hydrogen bond potentials to assess in silico protein folding

Protein folding using activated hydroogen bonding

Optimizing transport in nanostructured catalysts: a computational study

The formation of fibrils by intertwining of filaments: model and application ot amyloid A-Beta protein

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

Simulate proein folding with alternating hydroogen 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