V. Mironov

发表

Multi-Level Parallelization of the Fragment Molecular Orbital Method in GAMESS

Spencer R Pruitt, M. Gordon, D. Fedorov, 2021 .

Recent developments in the general atomic and molecular electronic structure system.

Michael W. Schmidt, Alistair P. Rendell, Bryce M. Westheimer, 2020, The Journal of chemical physics.

The photoreaction mechanism in the bacterial blue light receptor BLUF according to metadynamics modeling

A. Nemukhin, M. Khrenova, V. Mironov, 2014, Moscow University Chemistry Bulletin.

Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers

Kelvin H.-C. Chen, D. V. Veprintsev, V. de Franciscis, 2022, Chemistry.

Methodological aspects of the calculation of the free energy profile of guanosine triphosphate hydrolysis by Ras-GAP protein complex

M. Khrenova, V. Mironov, L. A. Lychko, 2016, Moscow University Chemistry Bulletin.

Why does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras‐GAP in hydrolysis of guanosine triphosphate?

B. Grigorenko, A. Nemukhin, M. Khrenova, 2015, Proteins.

A systematic study of minima in alanine dipeptide

Vladimir Mironov, Yuri Alexeev, Vikram Khipple Mulligan, 2018, J. Comput. Chem..

Computational characterization of the chemical step in the GTP hydrolysis by Ras‐GAP for the wild‐type and G13V mutated Ras

Maria G Khrenova, Alexander V Nemukhin, A. Nemukhin, 2015, Proteins.

Modeling the role of G12V and G13V Ras mutations in the Ras-GAP-catalyzed hydrolysis reaction of guanosine triphosphate.

Maria G Khrenova, Alexander V Nemukhin, B. Grigorenko, 2014, Biochemistry.

Exploring structural and optical properties of fluorescent proteins by squeezing: modeling high-pressure effects on the mStrawberry and mCherry red fluorescent proteins.

Adèle D. Laurent, A. Krylov, A. Nemukhin, 2012, The journal of physical chemistry. B.

Modeling absorption of the kindling fluorescent protein with the neutral form of the chromophore

J. Collins, A. Nemukhin, A. Savitsky, 2012 .

The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer

A. V. Krat, T. Zamay, O. Kolovskaya, 2021, Molecular therapy. Nucleic acids.

The origin of radiationless conversion of the excited state in the kindling fluorescent protein (KFP): femtosecond studies and quantum modeling

A. Rusanov, F. Gostev, O. Sarkisov, 2011 .

Power Measurements of Hartree-Fock Algorithms Using Different Storage Devices

Vladimir Mironov, Yuri Alexeev, Alexander A. Moskovsky, 2017, 2017 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW).

An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel® Xeon Phi™ processor

Mark S. Gordon, Vladimir Mironov, Yuri Alexeev, 2017, SC17: International Conference for High Performance Computing, Networking, Storage and Analysis.

Performance Evaluation of the Intel Optane DC Memory With Scientific Benchmarks

Evgeny Epifanovsky, Vladimir Mironov, Igor Kulikov, 2019, 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC).

The Parallel Hydrodynamic Code for Astrophysical Flow with Stellar Equations of State

Vladimir Mironov, Igor G. Chernykh, Igor M. Kulikov, 2018, RuSCDays.

Conformational partitioning in pH-induced fluorescence of the kindling fluorescent protein (KFP).

Alexander S. Goryashenko, B. Grigorenko, A. Nemukhin, 2011, The journal of physical chemistry. B.

Modeling structure and excitation of biliverdin-binding domains in infrared fluorescent proteins

I. Polyakov, B. Grigorenko, A. Nemukhin, 2018, Chemical Physics Letters.

Computational approach to design of aptamers to the receptor binding domain of SARS-CoV-2

V. Mironov, D. Morozov, A. Kichkailo, 2021, Siberian Medical Review.

Thermal isomerization of the chromoprotein asFP595 and its kindling mutant A143G: QM/MM molecular dynamics simulations.

B. Grigorenko, A. Nemukhin, A. Savitsky, 2013, The journal of physical chemistry. B.

An efficient MPI/OpenMP parallelization of the Hartree–Fock–Roothaan method for the first generation of Intel® Xeon Phi™ processor architecture

Vladimir Mironov, Yuri Alexeev, Alexander A. Moskovsky, 2019, Int. J. High Perform. Comput. Appl..

Role of zwitterions in kindling fluorescent protein photochemistry.

Alexander V Nemukhin, K. Bravaya, A. Nemukhin, 2015, The journal of physical chemistry. B.

Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method

Yuri Alexeev, Dmitri G. Fedorov, D. Fedorov, 2019, International Journal of Quantum Chemistry.

Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed With the Fragment Molecular Orbital Method.

D. Fedorov, Y. Alexeev, V. Mironov, 2019, The journal of physical chemistry. A.

Evaluation of Intel Memory Drive Technology Performance for Computational Astrophysics

Vladimir Mironov, Igor G. Chernykh, Igor M. Kulikov, 2019, RuSCDays.