85 citations · 440 across the 18 of their papers we have counts for
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physics.bio-ph2020★ 76 cited
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…
physics.bio-ph2020★ 85 cited
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…