| Functionalization of graphene: covalent and non-covalent approaches, derivatives and applications V Georgakilas, M Otyepka, AB Bourlinos, V Chandra, N Kim, KC Kemp, ... Chemical reviews 112 (11), 6156-6214, 2012 | 3250 | 2012 |
| CAVER: a new tool to explore routes from protein clefts, pockets and cavities M Petřek, M Otyepka, P Banáš, P Košinová, J Koča, J Damborský BMC bioinformatics 7 (1), 1-9, 2006 | 558 | 2006 |
| Refinement of the Cornell et al. nucleic acids force field based on reference quantum chemical calculations of glycosidic torsion profiles M Zgarbová, M Otyepka, J Šponer, A Mládek, P Banáš, ... Journal of chemical theory and computation 7 (9), 2886-2902, 2011 | 530 | 2011 |
| Graphene fluoride: a stable stoichiometric graphene derivative and its chemical conversion to graphene R Zbořil, F Karlický, AB Bourlinos, TA Steriotis, AK Stubos, V Georgakilas, ... small 6 (24), 2885-2891, 2010 | 370 | 2010 |
| Adsorption of small organic molecules on graphene P Lazar, F Karlicky, P Jurecka, M Kocman, E Otyepková, K Šafářová, ... Journal of the American Chemical Society 135 (16), 6372-6377, 2013 | 351 | 2013 |
| Halogenated graphenes: rapidly growing family of graphene derivatives F Karlicky, K Kumara Ramanatha Datta, M Otyepka, R Zboril ACS nano 7 (8), 6434-6464, 2013 | 296 | 2013 |
| Performance of molecular mechanics force fields for RNA simulations: stability of UUCG and GNRA hairpins P Banás, D Hollas, M Zgarbová, P Jurecka, M Orozco, TE Cheatham III, ... Journal of Chemical Theory and Computation 6 (12), 3836-3849, 2010 | 280 | 2010 |
| MOLE: a Voronoi diagram-based explorer of molecular channels, pores, and tunnels M Petřek, P Košinová, J Koča, M Otyepka Structure 15 (11), 1357-1363, 2007 | 273 | 2007 |
| Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate M Pavlova, M Klvana, Z Prokop, R Chaloupkova, P Banas, M Otyepka, ... Nature chemical biology 5 (10), 727-733, 2009 | 256 | 2009 |
| Biomimetic superhydrophobic/superoleophilic highly fluorinated graphene oxide and ZIF‐8 composites for oil–water separation K Jayaramulu, KKR Datta, C Rösler, M Petr, M Otyepka, R Zboril, ... Angewandte Chemie International Edition 55 (3), 1178-1182, 2016 | 244 | 2016 |
| Stabilizing and modulating color by copigmentation: Insights from theory and experiment P Trouillas, JC Sancho-García, V De Freitas, J Gierschner, M Otyepka, ... Chemical reviews 116 (9), 4937-4982, 2016 | 225 | 2016 |
| Graphitic nitrogen triggers red fluorescence in carbon dots K Hola, M Sudolska, S Kalytchuk, D Nachtigallova, AL Rogach, ... ACS nano 11 (12), 12402-12410, 2017 | 216 | 2017 |
| Toward improved description of DNA backbone: revisiting epsilon and zeta torsion force field parameters M Zgarbová, FJ Luque, J Sponer, TE Cheatham III, M Otyepka, P Jurecka Journal of chemical theory and computation 9 (5), 2339-2354, 2013 | 210 | 2013 |
| Refinement of the sugar–phosphate backbone torsion beta for AMBER force fields improves the description of Z-and B-DNA M Zgarbová, J Sponer, M Otyepka, TE Cheatham III, R Galindo-Murillo, ... Journal of chemical theory and computation 11 (12), 5723-5736, 2015 | 200 | 2015 |
| Reference simulations of noncanonical nucleic acids with different χ variants of the AMBER force field: quadruplex DNA, quadruplex RNA, and Z-DNA M Krepl, M Zgarbová, P Stadlbauer, M Otyepka, P Banáš, J Koca, ... Journal of chemical theory and computation 8 (7), 2506-2520, 2012 | 200 | 2012 |
| MOLE 2.0: advanced approach for analysis of biomacromolecular channels D Sehnal, RS Vařeková, K Berka, L Pravda, V Navrátilová, P Banáš, ... Journal of cheminformatics 5 (1), 1-13, 2013 | 191 | 2013 |
| RNA structural dynamics as captured by molecular simulations: a comprehensive overview J Sponer, G Bussi, M Krepl, P Banáš, S Bottaro, RA Cunha, A Gil-Ley, ... Chemical reviews 118 (8), 4177-4338, 2018 | 176 | 2018 |
| Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe in MA Ditzler, M Otyepka, J Sponer, NG Walter Accounts of chemical research 43 (1), 40-47, 2010 | 171 | 2010 |
| Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission K Hola, AB Bourlinos, O Kozak, K Berka, KM Siskova, M Havrdova, ... Carbon 70, 279-286, 2014 | 159 | 2014 |
| Assessing the current state of amber force field modifications for DNA R Galindo-Murillo, JC Robertson, M Zgarbova, J Sponer, M Otyepka, ... Journal of chemical theory and computation 12 (8), 4114-4127, 2016 | 158 | 2016 |
