57 citations · 66 across the 3 of their papers we have counts for
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Real-time observation of ligand-induced allosteric transitions in a PDZ domain
Olga Bozovic, Claudio Zanobini, Adnan Gulzar +6
While allostery is of paramount importance for protein regulation, the underlying dynamical process of ligand (un)binding at one site, resulting time evolution of the protein struc…
The nuclear pore complex as an entropic gate: theory and simulation
Mike Castellano, Steffen Wolf, Thorsten Koslowski
Protein chains of the (FG) ( 300) type cap the cytoplasmatic side of the nucleopore complex, which connects the nucleus to the remainder of an eukaryotic cell. We stu…
Multisecond ligand dissociation dynamics from atomistic simulations
Steffen Wolf, Benjamin Lickert, Simon Bray +1
Coarse-graining of fully atomistic molecular dynamics simulations is a long-standing goal in order to allow the description of processes occurring on biologically relevant timescal…