Anatoly M. Ruvinsky

TL;DR: The structure provides unprecedented insight into the complementary interface that enables the [2Fe-2S] cluster of Pa-Bfd to promote heme-mediated electron transfer through the BfrB protein dielectric, a process that is necessary to reduce the core ferric mineral and facilitate mobilization of Fe(2+).

TL;DR: A systematic study on how mixtures of organic solvent probes in water can reveal cryptic ligand binding pockets that are not evident in crystal structures of apo proteins and whether solvent MD simulations on the apo structures can induce the binding site observed in the holo structures.

TL;DR: In this article, the authors present results of testing the ability of eleven popular scoring functions to predict native docked positions using a recently developed method (Ruvinsky and Kozintsev, J Comput Chem 2005, 26, 1089) for estimation the entropy contributions of relative motions to protein-ligand binding affinity.

TL;DR: A novel method to estimate the contributions of translational and rotational entropy to protein‐ligand binding affinity based on estimates of the configurational integral through the sizes of clusters obtained from multiple docking positions is presented.

TL;DR: In this paper, the exciton dispersion laws in coupled quantum wells with spatially separated electrons and holes in a high transverse magnetic field were investigated. But the authors only considered the case where the excitons were drawn from a well and the magnetic momentum of the magnetoexciton was conserved.