Vladimir A. Mironov
Vladimir A. Mironov
Lomonosov Moscow State University, Department of Chemistry
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Recent developments in the general atomic and molecular electronic structure system
GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ...
The Journal of Chemical Physics 152 (15), 154102, 2020
Modeling the role of G12V and G13V Ras mutations in the Ras-GAP-catalyzed hydrolysis reaction of guanosine triphosphate
MG Khrenova, VA Mironov, BL Grigorenko, AV Nemukhin
Biochemistry 53 (45), 7093-7099, 2014
An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor
V Mironov, Y Alexeev, K Keipert, M D'mello, A Moskovsky, MS Gordon
Proceedings of the International Conference for High Performance Computing …, 2017
Exploring structural and optical properties of fluorescent proteins by squeezing: modeling high-pressure effects on the mStrawberry and mCherry red fluorescent proteins
AD Laurent, VA Mironov, PP Chapagain, AV Nemukhin, AI Krylov
The Journal of Physical Chemistry B 116 (41), 12426-12440, 2012
An efficient MPI/OpenMP parallelization of the Hartree–Fock–Roothaan method for the first generation of Intel® Xeon Phi™ processor architecture
V Mironov, A Moskovsky, M D’Mello, Y Alexeev
The International Journal of High Performance Computing Applications 33 (1 …, 2019
PaSTRI: Error-Bounded Lossy Compression for Two-Electron Integrals in Quantum Chemistry
AM Gok, S Di, Y Alexeev, D Tao, V Mironov, X Liang, F Cappello
2018 IEEE International Conference on Cluster Computing (CLUSTER), 1-11, 2018
The performance characterization of the RSC PetaStream Module
A Semin, E Druzhinin, V Mironov, A Shmelev, A Moskovsky
International Supercomputing Conference, 420-429, 2014
Computational characterization of the chemical step in the GTP hydrolysis by Ras‐GAP for the wild‐type and G13V mutated Ras
VA Mironov, MG Khrenova, LA Lychko, AV Nemukhin
Proteins: Structure, Function, and Bioinformatics 83 (6), 1046-1053, 2015
Server Level Liquid Cooling: Do Higher System Temperatures Improve Energy Efficiency?
A Moskovsky, E Druzhinin, A Shmelev, V Mironov, A Semin
Supercomputing Frontiers and Innovations 3 (1), 67-74, 2016
Modeling structure and excitation of biliverdin-binding domains in infrared fluorescent proteins
IV Polyakov, BL Grigorenko, VA Mironov, AV Nemukhin
Chemical Physics Letters 710, 59-63, 2018
A systematic study of minima in alanine dipeptide
V Mironov, Y Alexeev, VK Mulligan, DG Fedorov
Journal of computational chemistry 40 (2), 297-309, 2019
Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed with the Fragment Molecular Orbital Method
DG Fedorov, A Brekhov, V Mironov, Y Alexeev
The Journal of Physical Chemistry A 123 (29), 6281-6290, 2019
Conformational partitioning in pH-induced fluorescence of the kindling fluorescent protein (KFP)
AL Rusanov, VA Mironov, AS Goryashenko, BL Grigorenko, AV Nemukhin, ...
The Journal of Physical Chemistry B 115 (29), 9195-9201, 2011
Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method
V Mironov, Y Alexeev, DG Fedorov
International Journal of Quantum Chemistry 119 (12), e25937, 2019
PaSTRI: A novel data compression algorithm for two-electron integrals in quantum chemistry
AM Gok, D Tao, S Di, V Mironov, A Yuri, F Cappello
The International Conference for High Performance Computing, Networking …, 2017
Why does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras‐GAP in hydrolysis of guanosine triphosphate?
MG Khrenova, BL Grigorenko, VA Mironov, AV Nemukhin
Proteins: Structure, Function, and Bioinformatics 83 (11), 2091-2099, 2015
On Quantum Chemistry Code Adaptation for RSC PetaStream Architecture
V Mironov, M Khrenova, A Moskovsky
International Conference on High Performance Computing, 113-121, 2015
Thermal isomerization of the chromoprotein asFP595 and its kindling mutant A143G: QM/MM molecular dynamics simulations
VA Mironov, MG Khrenova, BL Grigorenko, AP Savitsky, AV Nemukhin
The Journal of Physical Chemistry B 117 (43), 13507-13514, 2013
Modeling absorption of the kindling fluorescent protein with the neutral form of the chromophore
I Topol, J Collins, V Mironov, A Savitsky, A Nemukhin
International Journal of Quantum Chemistry 112 (17), 2947-2951, 2012
Performance Evaluation of the Intel Optane DC Memory With Scientific Benchmarks
V Mironov, I Chernykh, I Kulikov, A Moskovsky, E Epifanovsky, ...
2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC), 1-6, 2019
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