Recent Submissions

  • Constrained unfolding of a helical peptide: Implicit versus solvents dataset 

    Bureau, Hailey R.; Merz, Dale R. Jr; Hershkovits, Eli; Hernandez, Rigoberto; Quirk, Stephen (Georgia Institute of Technology, 2015)
    Steered Molecular Dynamics (SMD) has been seen to provide the potential of mean force (PMF) along a peptide unfolding pathway effectively but at significant computational cost, particularly in all-atom solvents. Adaptive ...