| MesoBioNano Explorer—a universal program for multiscale computer simulations of complex molecular structure and dynamics IA Solov'yov, AV Yakubovich, PV Nikolaev, I Volkovets, AV Solov'yov Journal of computational chemistry 33 (30), 2412-2439, 2012 | 165 | 2012 |
| Molecular dynamics simulations of the nanoindentation process of titanium crystal AV Verkhovtsev, AV Yakubovich, GB Sushko, M Hanauske, AV Solov’yov Computational materials science 76, 20-26, 2013 | 79 | 2013 |
| Biodamage via shock waves initiated by irradiation with ions E Surdutovich, AV Yakubovich, AV Solov'yov Scientific reports 3 (1), 1289, 2013 | 64 | 2013 |
| Protecting Benzylic C H Bonds by Deuteration Doubles the Operational Lifetime of Deep‐Blue Ir‐Phenylimidazole Dopants in Phosphorescent OLEDs HJ Bae, JS Kim, A Yakubovich, J Jeong, S Park, J Chwae, S Ishibe, ... Advanced Optical Materials 9 (16), 2100630, 2021 | 52 | 2021 |
| Predicting the operational stability of phosphorescent OLED host molecules from first principles: a case study AY Freidzon, AA Safonov, AA Bagaturyants, DN Krasikov, BV Potapkin, ... The Journal of Physical Chemistry C 121 (40), 22422-22433, 2017 | 42 | 2017 |
| Ab initio study of alanine polypeptide chain twisting IA Solov’yov, AV Yakubovich, AV Solov’yov, W Greiner Physical Review E 73 (2), 021916, 2006 | 33 | 2006 |
| Multiscale approach to radiation damage induced by ion beams: complex DNA damage and effects of thermal spikes E Surdutovich, AV Yakubovich, AV Solov’Yov The European Physical Journal D 60, 101-108, 2010 | 31 | 2010 |
| Phase transition in polypeptides: a step towards the understanding of protein folding AV Yakubovich, IA Solov'yov, AV Solov'yov, W Greiner The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2006 | 29 | 2006 |
| Conformational changes in glycine tri-and hexapeptide AV Yakubovich, IA Solov'yov, AV Solov'yov, W Greiner The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2006 | 29 | 2006 |
| Thermomechanical damage of nucleosome by the shock wave initiated by ion passing through liquid water AV Yakubovich, E Surdutovich, AV Solov’yov Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2012 | 28 | 2012 |
| Ab initio theory of helix↔ coil phase transition AV Yakubovich, IA Solov'yov, AV Solov'yov, W Greiner The European Physical Journal D 46, 215-225, 2008 | 25 | 2008 |
| α-helix↔ random coil phase transition: analysis of ab initio theory predictions IA Solov'yov, AV Yakubovich, AV Solov'yov, W Greiner The European Physical Journal D 46, 227-240, 2008 | 24 | 2008 |
| α-helix↔ random coil phase transition: analysis of ab initio theory predictions IA Solov'yov, AV Yakubovich, AV Solov'yov, W Greiner The European Physical Journal D 46, 227-240, 2008 | 24 | 2008 |
| Characterization of small pure and Ni-doped titanium clusters: ab initio versus classical approaches AV Verkhovtsev, M Hanauske, AV Yakubovich, AV Solov’yov Computational materials science 76, 80-88, 2013 | 21 | 2013 |
| Atomic and molecular data needs for radiation damage modeling: multiscale approach AV Yakubovich, E Surdutovich, AV Solov’yov AIP Conference Proceedings 1344 (1), 230-238, 2011 | 21 | 2011 |
| Molecular dynamics simulation of self-diffusion processes in titanium in bulk material, on grain junctions and on surface GB Sushko, AV Verkhovtsev, AV Yakubovich, S Schramm, AV Solov’yov The Journal of Physical Chemistry A 118 (33), 6685-6691, 2014 | 20 | 2014 |
| Two-center-multipole expansion method: Application to macromolecular systems IA Solov’yov, AV Yakubovich, AV Solov’yov, W Greiner Physical Review E 75 (5), 051912, 2007 | 17 | 2007 |
| On the fragmentation of biomolecules: fragmentation of alanine dipeptide along the polypeptide chain IA Solov’yov, AV Yakubovich, AV Solov’yov, W Greiner Journal of Experimental and Theoretical Physics 103, 463-471, 2006 | 17 | 2006 |
| Benchmarking of classical force fields by ab initio calculations of atomic clusters: Ti and Ni–Ti case AV Verkhovtsev, GB Sushko, AV Yakubovich, AV Solov’yov Computational and Theoretical Chemistry 1021, 101-108, 2013 | 16 | 2013 |
| Radiation damage of biomolecules (RADAM) database development: Current status S Denifl, G Garcia, BA Huber, BP Marinković, N Mason, J Postler, ... Journal of Physics: Conference Series 438 (1), 012016, 2013 | 16 | 2013 |
