Search Results - "V. V. Shapovalov"

A Smoothed Backbone-Dependent Rotamer Library for Proteins Derived from Adaptive Kernel Density Estimates and Regressions by Shapovalov, Maxim V., Dunbrack, Roland L.

“…Rotamer libraries are used in protein structure determination, prediction, and design. The backbone-dependent rotamer library consists of rotamer frequencies,…”
Get full text

Synchrotron-based operando X-ray diffraction and X-ray absorption spectroscopy study of LiCo0.5Fe0.5PO4 mixed d-metal olivine cathode by Hamdalla, Taymour A., Aboraia, Abdelaziz M., Shapovalov, V. V., Guda, A. A., Kosova, N. V., Podgornova, O. A., Darwish, A. A. A., Al-Ghamdi, S. A., Alfadhli, S., Alatawi, Aadel M., Soldatov, Alexander

“…Lithium-ion batteries based on high-voltage cathode materials, such as LiCoPO 4 , despite being promising in terms of specific power, still suffer from poor…”
Get full text

The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design by Alford, Rebecca F, Leaver-Fay, Andrew, Jeliazkov, Jeliazko R, O’Meara, Matthew J, DiMaio, Frank P, Park, Hahnbeom, Shapovalov, Maxim V, Renfrew, P. Douglas, Mulligan, Vikram K, Kappel, Kalli, Labonte, Jason W, Pacella, Michael S, Bonneau, Richard, Bradley, Philip, Dunbrack, Roland L, Das, Rhiju, Baker, David, Kuhlman, Brian, Kortemme, Tanja, Gray, Jeffrey J

“…Over the past decade, the Rosetta biomolecular modeling suite has informed diverse biological questions and engineering challenges ranging from interpretation…”
Get full text

On Equivalence between Kinetic Equations and Geodesic Equations in Spaces with Affine Connection by Shapovalov, Alexander V.

“…Discrete kinetic equations describing binary processes of agglomeration and fragmentation are considered using formal equivalence between the kinetic equations…”
Get full text

Catalysis by doped oxides : CO oxidation by AuxCe1-xO2 by SHAPOVALOV, Vladimir, METIU, Horia

Get full text

Hot Target. Physicochemical Model of Reactive Sputtering by Shapovalov, V. I.

“…In this paper, we further develop the non-isothermal physicochemical model of reactive sputtering. A new version of the model describes the sputtering of a hot…”
Get full text

Distribution of Cobalt Co2+ Ions in Single Crystals of Spinel Li0.5Ga2.5O4 by Shapovalov, V. V., Shapovalov, V. A., Drokina, T. V., Vorotynov, A. M., Val’kov, V. I.

“…The distribution of Co 2+ ions over sublattices and structurally nonequivalent positions in the unit cell of the crystal lattice of a single crystal of lithium…”
Get full text

Enhancement of the electrochemical performance of LiCoPO4 by Fe doping by Aboraia, Abdelaziz M., Moustafa, M.G., Shapovalov, Viktor V., Guda, Alexander A., Elmasry, F., Soldatov, Alexander

“…LiCoPO4 is an attractive cathode material, but it undergoes poor electronic conductivity and electrochemical performance. This performance is enhanced by…”
Get full text

Lift Airfoils Close to the Airfoils in a Flow with the Maximum “Critical” Mach Numbers by Kraiko, A. N., Shapovalov, V. A.

“…The lift airfoils close to the airfoils optimal with respect to the critical Mach numbers М* of two-dimensional bodies optimal with respect to М* are…”
Get full text

Plane and Axisymmetric Bodies in a Flow with the Greatest “Critical” Mach Number by Kraiko, A. N., Shapovalov, V. A.

“…We construct two-dimensional (plane and axisymmetric) bodies in a flow of an ideal (inviscid and non-heat-conducting) gas with the greatest “critical” Mach…”
Get full text

Core–Shell Structure of Palladium Hydride Nanoparticles Revealed by Combined X‑ray Absorption Spectroscopy and X‑ray Diffraction by Bugaev, Aram L, Guda, Alexander A, Lomachenko, Kirill A, Shapovalov, Viktor V, Lazzarini, Andrea, Vitillo, Jenny G, Bugaev, Lusegen A, Groppo, Elena, Pellegrini, Riccardo, Soldatov, Alexander V, van Bokhoven, Jeroen A, Lamberti, Carlo

“…We report an in situ, temperature and H2 pressure-dependent, characterization of (2.6 ± 0.4) nm palladium nanoparticles supported on active carbon during the…”
Get full text

Distribution of Mn2+ Manganese Ions in a Single Crystal of the Lithium–Gallium Li0.5Ga2.5O4 Spinel by Shapovalov, V. V., Shapovalov, V. A., Shavrov, V. G., Koledov, V. V., Val’kov, V. I., Kamantsev, A. P.

“…A self-organization of eight structurally and magnetically nonequivalent positions of manganese Mn 2+ ions in the unit cell of a single crystal of the…”
Get full text

Symmetry and Classification of the Dirac–Fock Equation by Shapovalov, V. N.

“…We consider the properties of the Dirac–Fock equation with differential operators of the first-order symmetry. For a relativistic particle in an…”
Get full text

Iron (II) fluoride cathode material derived from MIL-88A by Butova, Vera V., Aboraia, Abdelaziz M., Shapovalov, Victor V., Dzhangiryan, Narek A., Papkovskaya, Elizaveta D., Ilin, Oleg I., Kubrin, Stanislav P., Guda, Alexander A., Soldatov, Alexander V.

“…We report an eco-friendly, simple, and scalable method of FeF2 cathode production. MIL-88A was synthesized in a water medium without any additives. It was used…”
Get full text

Graetz–Nusselt Problem for Bingham Liquid by Shapovalov, V. M.

“…The Graetz–Nusselt problem for Bingham liquid is solved by the approximate Kantorovich method. The solution is obtained in the form of a Fourier–Bessel series…”
Get full text

Application of Radar, Lightning Location, and Numerical Simulation Data to Study the Relationship between Total Lightning Activity and Severe Weather Events by Shapovalov, A. V., Shapovalov, V. A., Stasenko, V. N., Lesev, V. N.

“…The results of numerical experiments with the three-dimensional nonstationary bin model of convective clouds with a detailed consideration of…”
Get full text

A Semiclassical Approach to the Nonlocal Nonlinear Schrödinger Equation with a Non-Hermitian Term by Kulagin, Anton E., Shapovalov, Alexander V.

“…The nonlinear Schrödinger equation (NLSE) with a non-Hermitian term is the model for various phenomena in nonlinear open quantum systems. We deal with the…”
Get full text

Operando XAS and UV–Vis Characterization of the Photodynamic Spiropyran–Zinc Complexes by Chernyshev, A. V, Guda, A. A, Cannizzo, A, Solov’eva, E. V, Voloshin, N. A, Rusalev, Yu, Shapovalov, V. V, Smolentsev, G, Soldatov, A. V, Metelitsa, A. V

“…Thermal and photoinduced processes accompanying complexation of photochromic spiropyrans (SPP) with Zn ions in acetone solution were characterized by means of…”
Get full text

Mechanical and tribological behavior of PTFE–polyoxadiazole fiber composites. Effect of filler treatment by Aderikha, V.N., Shapovalov, V.A.

“…► Interface modification in PTFE composites. ► RF plasma in TFE deposits a thin fluoroorganic polymer layer on POD fibers. ► The coating improves wetting of…”
Get full text

On the Deposition of an FexNi1 – x Film by the Magnetron Sputtering of a Multilayer Target by Shapovalov, V. I., Ivantsov, M. O., Krainov, N. S.

“…The application of a technological magnetron equipped with a multilayer target for the deposition of Fe x Ni 1 –  x composite permalloy films is considered…”
Get full text