88 citations · 277 across the 14 of their papers we have counts for
5 papers · 1 filter
Langevin dynamics simulations of biomolecules on graphics processors
A. Zhmurov, R. I. Dima, Y. Kholodov +1
Due to the very long timescales involved (us-s), theoretical modeling of fundamental biological processes including folding, misfolding, and mechanical unraveling of biomolecules,…
The role of internal chain dynamics on the rupture kinetics of adhesive contacts
V. Barsegov, G. Morrison, D. Thirumalai
We study the forced rupture of adhesive contacts between monomers that are not covalently linked in a Rouse chain. When the applied force () to the chain end is less than the cr…
Mapping the energy landscape of biomolecules using single molecule force correlation spectroscopy (FCS): Theory and applications
V. Barsegov, D. Klimov, D. Thirumalai
In the current AFM experiments the distribution of unfolding times, P(t), is measured by applying a constant stretching force f_s from which the apparent unfolding rate is obtained…
Influence of surface interactions on folding and forced unbinding of semiflexible chains
V. Barsegov, D. Thirumalai
We investigate the folding and forced-unbinding transitions of adsorbed semiflexible polymer chains using theory and simulations. These processes describe biologically relevant phe…
Probing protein-protein interactions by dynamic force correlated spectroscopy (FCS)
V. Barsegov, D. Thirumalai
We develop a formalism for single molecule dynamic force spectroscopy to map the energy landscape of protein-protein complex (). The joint distribution of un…