M

MG Wolf

13 records found

Understanding amyloidogenesis through computer simulations. Tackling the sampling problem by using replica exchange umbrella sampling and hydrogen bond biasing potentials
Doctoral thesis (2009) - MG Wolf (author)

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

Simulate protein folding with alternating hydrogen bond potentials

Modeling amyloid fybril formation: A free-energy approach

Improved hydrogen bond potentials to assess in silico protein folding

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

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

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

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

Simulating protein folding with alternating hydrogen bond potentials

Simulate proein folding with alternating hydroogen bond potentials

Simulate protein folding with alternating hydroogen bond potentials

Protein folding using activated hydroogen bonding