| A smooth‐particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700 K Kholmurodov, W Smith, K Yasuoka, T Darden, T Ebisuzaki Journal of Computational Chemistry 21 (13), 1187-1191, 2000 | 80 | 2000 |
| Molecular adsorption of H2O on TiO2 and TiO2: Y surfaces D Nematov, K Kholmurodov, M Husenzoda, A Lyubchyk, A Burhonzoda Journal of Human, Earth, and Future 3 (2), 213-222, 2022 | 52 | 2022 |
| Molecular dynamics simulations of the DNA radiation damage and conformation behavior on a zirconium dioxide surface D Nematov, A Burhonzoda, M Khusenov, K Kholmurodov, ... Egyptian Journal of Chemistry 62 (The First International Conference on …, 2019 | 49 | 2019 |
| Calcium and zinc differentially affect the structure of lipid membranes N Kučerka, E Dushanov, KT Kholmurodov, J Katsaras, D Uhríková Langmuir 33 (12), 3134-3141, 2017 | 43 | 2017 |
| MD simulation of cluster–surface impacts for metallic phases: soft landing, droplet spreading and implantation K Kholmurodov, I Puzynin, W Smith, K Yasuoka, T Ebisuzaki Computer Physics Communications 141 (1), 1-16, 2001 | 29 | 2001 |
| Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model KT Kholmurodov, K Yasuoka, XC Zeng The Journal of Chemical Physics 114 (21), 9578-9584, 2001 | 28 | 2001 |
| Density functional theory calculations of the water interactions with ZrO2 nanoparticles Y2O3 doped M Subhoni, K Kholmurodov, A Doroshkevich, E Asgerov, T Yamamoto, ... Journal of Physics: Conference Series 994 (1), 012013, 2018 | 25 | 2018 |
| Investigation of structural and optoelectronic properties of N-doped hexagonal phases of TiO2 (TiO2-xNx) nanoparticles with DFT realization: Optimization of the band gap and … D Nematov, M Husenzoda, A Burhonzoda, K Kholmurodov, A Lyubchyk, ... Biointerface research in applied chemistry 12 (3), 3836-3848, 2022 | 24 | 2022 |
| The quantum-chemistry calculations of electronic structure of boron nitride nanocrystals with density Functional theory realization DD Nematov, AS Burhonzoda, MA Khusenov, KT Kholmurodov, ... Egyptian Journal of Chemistry 62 (The First International Conference on …, 2019 | 22 | 2019 |
| Molecular dynamics simulations of the DNA-CNT interaction process: Hybrid quantum chemistry potential and classical trajectory approach MA Khusenov, EB Dushanov, KT Kholmurodov Journal of Modern Physics 2014, 2014 | 22 | 2014 |
| Effect of nano metal oxides on heme molecule: Molecular and biomolecular approaches AM Bayoumy, H Elhaes, O Osman, MA Ibrahim, KT Kholmurodov, ... Biointerface Research in Applied Chemistry 10 (1), 4837-4845, 2019 | 21 | 2019 |
| Molecular dynamics simulation of the interaction of ethanol-water mixture with a Pt surface K Kholmurodov, E Dushanov, K Yasuoka, H Khalil, A Galal, S Ahmed, ... Natural Science 3 (12), 1011, 2011 | 21 | 2011 |
| A highly vectorised “link-cell” FORTRAN code for the DL_POLY molecular dynamics simulation package K Kholmurodov, W Smith, K Yasuoka, T Ebisuzaki Computer physics communications 125 (1-3), 167-192, 2000 | 20 | 2000 |
| Optimization optoelectronic properties ZnxCd1-xTe system for solar cell application: theoretical and experimental study D Nematov, B Makhsudov, K Kholmurodov, M Yarov Biointerface Research in Applied Chemistry 13 (1), 90, 2023 | 19 | 2023 |
| A DFT study of structure, electronic and optical properties of Se-doped kesterite Cu2ZnSnS4 (CZTSSe) D Nematov, K Kholmurodov Available at SSRN 4609126, 2022 | 19 | 2022 |
| Visual pigment rhodopsin: a computer simulation of the molecular dynamics of 11-cis-retinal chromophore and amino-acid residues in the chromophore centre KT Kholmurodov, TB Feldman, MA Ostrovsky Mendeleev Communications 16 (1), 1-8, 2006 | 19 | 2006 |
| Cation–zwitterionic lipid interactions are affected by the lateral area per lipid N Kučerka, E Ermakova, E Dushanov, KT Kholmurodov, S Kurakin, ... Langmuir 37 (1), 278-288, 2020 | 17 | 2020 |
| Water permeation through the internal water pathway in activated GPCR rhodopsin K Tomobe, E Yamamoto, K Kholmurodov, K Yasuoka PLoS One 12 (5), e0176876, 2017 | 17 | 2017 |
| Using microgripper in development of automatic adhesive glue transferring and binding microassembly system RJ Chang, CC Chen Engineering 2 (01), 1, 2010 | 17 | 2010 |
| Computational materials and biological sciences KT Kholmurodov Computational Materials and Biological Sciences, 1-188, 2015 | 15 | 2015 |
Kenji YasuokaProfessor of Mechanical Engineering, Keio University在 mech.keio.ac.jp 的电子邮件经过验证
Kenji YasuokaProfessor of Mechanical Engineering, Keio University在 mech.keio.ac.jp 的电子邮件经过验证
Xiao Cheng Zeng (ORCID:0000-0003-...City University of Hong Kong在 cityu.edu.hk 的电子邮件经过验证