966 citations · 1k across the 6 of their papers we have counts for
6 papers
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…
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…
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…
Molecular mechanisms, thermodynamics, and dissociation kinetics of knob-hole interactions in fibrin
Olga Kononova, Rustem I. Litvinov, Artem Zhmurov +6
Polymerization of fibrin, the primary structural protein of blood clots and thrombi, occurs through binding of knobs 'A' and 'B' in the central nodule of fibrin monomer to compleme…
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,…
Efficient pseudo-random number generators for biomolecular simulations on graphics processors
A. Zhmurov, K. Rybnikov, Y. Kholodov +1
Langevin Dynamics, Monte Carlo, and all-atom Molecular Dynamics simulations in implicit solvent, widely used to access the microscopic transitions in biomolecules, require a reliab…