Mironov VA - Search Results

1

From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited.

Beletsan OB, Gordiy I, Lunkov SS, Kalinin MA, Alkhimova LE, Nosach EA, Ilin EA, Bespalov AV, Dallakyan OL, Chamkin AA, Prolomov IV, Zaripov RA, Pershin AA, Protsenko BO, Rusalev YV, Oganov RA, Kovaleva DK, Mironov VA, Dotsenko VV, Genaev AM, Sharapa DI, Tikhonov DS. Beletsan OB, et al. Among authors: mironov va. Phys Chem Chem Phys. 2024 May 8;26(18):13850-13861. doi: 10.1039/d3cp04654k. Phys Chem Chem Phys. 2024. PMID: 38656824

2

Role of zwitterions in kindling fluorescent protein photochemistry.

Mironov VA, Bravaya KB, Nemukhin AV. Mironov VA, et al. J Phys Chem B. 2015 Feb 12;119(6):2467-74. doi: 10.1021/jp5075219. Epub 2014 Nov 17. J Phys Chem B. 2015. PMID: 25365115

3

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

Mironov VA, Khrenova MG, Grigorenko BL, Savitsky AP, Nemukhin AV. Mironov VA, et al. J Phys Chem B. 2013 Oct 31;117(43):13507-14. doi: 10.1021/jp407406k. Epub 2013 Oct 15. J Phys Chem B. 2013. PMID: 24079704

4

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

Rusanov AL, Mironov VA, Goryashenko AS, Grigorenko BL, Nemukhin AV, Savitsky AP. Rusanov AL, et al. Among authors: mironov va. J Phys Chem B. 2011 Jul 28;115(29):9195-201. doi: 10.1021/jp1094245. Epub 2011 Jul 5. J Phys Chem B. 2011. PMID: 21671654

5

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

Fedorov DG, Brekhov A, Mironov V, Alexeev Y. Fedorov DG, et al. J Phys Chem A. 2019 Jul 25;123(29):6281-6290. doi: 10.1021/acs.jpca.9b04936. Epub 2019 Jul 11. J Phys Chem A. 2019. PMID: 31251055

6

High-performance strategies for the recent MRSF-TDDFT in GAMESS.

Komarov K, Mironov V, Lee S, Pham BQ, Gordon MS, Choi CH. Komarov K, et al. J Chem Phys. 2023 May 21;158(19):194105. doi: 10.1063/5.0148005. J Chem Phys. 2023. PMID: 37184015

7

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

Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, Li H, Li W, Lutz JJ, Magoulas I, Mato J, Mironov V, Nakata H, Pham BQ, Piecuch P, Poole D, Pruitt SR, Rendell AP, Roskop LB, Ruedenberg K, Sattasathuchana T, Schmidt MW, Shen J, Slipchenko L, Sosonkina M, Sundriyal V, Tiwari A, Galvez Vallejo JL, Westheimer B, Włoch M, Xu P, Zahariev F, Gordon MS. Barca GMJ, et al. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259

8

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

Laurent AD, Mironov VA, Chapagain PP, Nemukhin AV, Krylov AI. Laurent AD, et al. Among authors: mironov va. J Phys Chem B. 2012 Oct 18;116(41):12426-40. doi: 10.1021/jp3060944. Epub 2012 Oct 5. J Phys Chem B. 2012. PMID: 22988813 Free PMC article.

9

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

Mironov VA, Khrenova MG, Lychko LA, Nemukhin AV. Mironov VA, et al. Proteins. 2015 Jun;83(6):1046-53. doi: 10.1002/prot.24802. Epub 2015 Apr 8. Proteins. 2015. PMID: 25820867

10

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

Khrenova MG, Mironov VA, Grigorenko BL, Nemukhin AV. Khrenova MG, et al. Among authors: mironov va. Biochemistry. 2014 Nov 18;53(45):7093-9. doi: 10.1021/bi5011333. Epub 2014 Nov 4. Biochemistry. 2014. PMID: 25339142

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