Thomas Herges

Computational design of closely related proteins that adopt two well-defined but structurally divergent folds

Debundling, selection and release of SWNTs using fluorene-based photocleavable polymers

A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

Make Life Simple: Unleash the Full Power of the Parallel Tempering Algorithm

Protein structure prediction by all-atom free-energy refinement

Comparison of multiple Amber force fields and development of improved protein backbone parameters

The Unfolded State of the Villin Headpiece Helical Subdomain: Computational Studies of the Role of Locally Stabilized Structure

Influence of molecular weight on selective oligomer-assisted dispersion of single-walled carbon nanotubes and subsequent polymer exchange

Selective dispersion of single-walled carbon nanotubes via easily accessible conjugated click polymers

Dynamic variational study of chaos: spin glasses in three dimensions

Selective Dispersion of Large‐Diameter Semiconducting Single‐Walled Carbon Nanotubes with Pyridine‐Containing Copolymers

Mutations as trapdoors to two competing native conformations of the Rop-dimer

Clustering by fast search and find of density peaks

Copolymer-Controlled Diameter-Selective Dispersion of Semiconducting Single-Walled Carbon Nanotubes

Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples

Polymer Library Comprising Fluorene and Carbazole Homo- and Copolymers for Selective Single-Walled Carbon Nanotubes Extraction

Basin hopping simulations for all-atom protein folding

Selective Dispersion of Single-Walled Carbon Nanotubes with Specific Chiral Indices by Poly(N-decyl-2,7-carbazole)

Free-Energy Landscape of the Villin Headpiece in an All-Atom Force Field

Comparison of Stochastic Optimization Methods for All‐Atom Folding of the Trp‐Cage Protein

Investigation of the parallel tempering method for protein folding