88 citations · 277 across the 14 of their papers we have counts for
14 papers
Quantum algorithm for Ewald summation based computation of long-range electrostatics
Mansur Ziiatdinov, Igor Novikov, Farid Ablayev +1
In computational molecular science, calculation of electrostatic interactions involving charged atoms - the strongest interactions in condensed phases, is a major bottleneck. We pr…
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…
Order statistics inference for describing topological coupling and mechanical symmetry breaking in multidomain proteins
Olga Kononova, Lee Jones, Valeri Barsegov
Cooperativity is a hallmark of proteins, many of which show a modular architecture comprising discrete structural domains. Detecting and describing dynamic couplings between struct…
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…
Structural transitions and energy landscape for Cowpea Chlorotic Mottle Virus capsid mechanics from nanomanipulation in vitro and in silico
Olga Kononova, Joost Snijder, Melanie Brasch +6
Physical properties of capsids of plant and animal viruses are important factors in capsid self-assembly, survival of viruses in the extracellular environment, and their cell infec…