3 papers
physics.comp-ph2020
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS
Szilárd Páll, Artem Zhmurov, Paul Bauer +5
The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude perfor…
physics.bio-ph2017
Molecular Mechanism of Transition from Catch-Bond to Slip-Bond in Fibrin
Rustem I. Litvinov, Olga Kononova, Farkhad Maksudov +4
The lifetimes of non-covalent A:a knob-hole bonds in fibrin probed with the optical trap-based force-clamp first increases ("catch bonds") and then decreases ("slip bonds") with in…
physics.bio-ph2017
Dynamic transition from -helices to -sheets in polypeptide superhelices
Kirill A. Minin, Artem Zhmurov, Kenneth A. Marx +2
We carried out dynamic force manipulations on a variety of superhelical protein fragments from myosin, chemotaxis receptor, vimentin, fibrin, and phenylalanine zipper…