Potential of Mean Force Simulation by Pulling a DNA Aptamer in Complex with Thrombin

Functional HSF1 requires aromatic-participant interactions in protecting mouse embryonic fibroblasts against apoptosis via G2 cell cycle arrest

Comparative Study of Implicit and Explicit Solvation Models for Probing Tryptophan Side Chain Packing in Proteins

Large Tunneling Effect on the Hydrogen Transfer in Bis(mu-oxo)dicopper Enzyme: A Theoretical Study

On the Structural Stability of a Short Three Stranded β-sheet Peptide (Betanova):Replica Exchange Molecular Dynamics Simulation Study

Free Energy Landscape of the FBP28 WW Domain by All-Atom Direct Folding Simulation

Computational study of human calcitonin (hCT) oligomer

Canonical Sampling Method for Initial Conditions for Reactive Flux Calculations Using Nose-Hoover Chains

Folding dynamics of ß-hairpin: Molecular dynamics simulations

Molecular dynamics study of peptides in implicit water:Ab initio folding β-hairpin, β-sheet, ββα-motif