| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 724 | 2019 |
| CH/π interactions in carbohydrate recognition V Spiwok Molecules 22 (7), 1038, 2017 | 127 | 2017 |
| Role of CH/π interactions in substrate binding by Escherichia coli β-galactosidase V Spiwok, P Lipovová, T Skálová, E Buchtelová, J Hašek, B Králová Carbohydrate research 339 (13), 2275-2280, 2004 | 123 | 2004 |
| Enhanced sampling techniques in biomolecular simulations V Spiwok, Z Sucur, P Hosek Biotechnology advances 33 (6), 1130-1140, 2015 | 118 | 2015 |
| Metadynamics in essential coordinates: free energy simulation of conformational changes V Spiwok, P Lipovová, B Králová The Journal of Physical Chemistry B 111 (12), 3073-3076, 2007 | 115 | 2007 |
| Cold-active β-galactosidase from Arthrobacter sp. C2-2 forms compact 660 kDa hexamers: crystal structure at 1.9 Å resolution T Skálová, J Dohnálek, V Spiwok, P Lipovová, E Vondráčková, ... Journal of Molecular Biology 353 (2), 282-294, 2005 | 104 | 2005 |
| The cloning, purification and characterisation of a cold-active β-galactosidase from the psychrotolerant Antarctic bacterium Arthrobacter sp. C2-2 P Karasová-Lipovová, H Strnad, V Spiwok, Š Malá, B Králová, NJ Russell Enzyme and Microbial Technology 33 (6), 836-844, 2003 | 93 | 2003 |
| Beta-galactosidase activity in psychrotrophic microorganisms and their potential use in food industry P Karasova, V Spiwok, S Mala, B Kralova, NJ Russell Czech journal of food sciences 20 (2), 43-47, 2002 | 87 | 2002 |
| Modelling of carbohydrate–aromatic interactions: ab initio energetics and force field performance V Spiwok, P Lipovová, T Skálová, E Vondráčková, J Dohnálek, J Hašek, ... Journal of computer-aided molecular design 19, 887-901, 2005 | 76 | 2005 |
| Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap V Spiwok, B Králová The Journal of chemical physics 135 (22), 2011 | 71 | 2011 |
| Modelling of β-D-glucopyranose ring distortion in different force fields: a metadynamics study V Spiwok, B Králová, I Tvaroška Carbohydrate research 345 (4), 530-537, 2010 | 70 | 2010 |
| Poly-N-Acetyllactosamine Neo-Glycoproteins as Nanomolar Ligands of Human Galectin-3: Binding Kinetics and Modeling L Bumba, D Laaf, V Spiwok, L Elling, V Křen, P Bojarová International journal of molecular sciences 19 (2), 372, 2018 | 65 | 2018 |
| Synthesis, in vitro, and in silico evaluation of organometallic technetium and rhenium thymidine complexes with retained substrate activity toward human thymidine kinase type 1 D Desbouis, H Struthers, V Spiwok, T Küster, R Schibli Journal of medicinal chemistry 51 (21), 6689-6698, 2008 | 63 | 2008 |
| Insights into stability and folding of GNRA and UNCG tetraloops revealed by microsecond molecular dynamics and well-tempered metadynamics S Haldar, P Kührová, P Banas, V Spiwok, J Sponer, P Hobza, ... Journal of Chemical Theory and Computation 11 (8), 3866-3877, 2015 | 62 | 2015 |
| Nucleotide binding triggers a conformational change of the CBS module of the magnesium transporter CNNM2 from a twisted towards a flat structure MÁ Corral-Rodríguez, M Stuiver, G Abascal-Palacios, T Diercks, ... Biochemical journal 464 (1), 23-34, 2014 | 62 | 2014 |
| Potential‐Energy and Free‐Energy Surfaces of Glycyl‐Phenylalanyl‐Alanine (GFA) Tripeptide: Experiment and Theory H Valdes, V Spiwok, J Rezac, D Reha, AG Abo‐Riziq, MS de Vries, ... Chemistry–A European Journal 14 (16), 4886-4898, 2008 | 59 | 2008 |
| Na+/K+-ATPase Revisited: On Its Mechanism of Action, Role in Cancer, and Activity Modulation J Bejček, V Spiwok, E Kmoníčková, S Rimpelová Molecules 26 (7), 1905, 2021 | 58 | 2021 |
| Enzymatic synthesis of oligo-D-galactofuranosides and L-arabinofuranosides: from molecular dynamics to immunological assays I Chlubnová, D Filipp, V Spiwok, H Dvořáková, R Daniellou, ... Organic & Biomolecular Chemistry 8 (9), 2092-2102, 2010 | 52 | 2010 |
| Cold-active enzymes studied by comparative molecular dynamics simulation V Spiwok, P Lipovová, T Skálová, J Dušková, J Dohnálek, J Hašek, ... Journal of Molecular Modeling 13, 485-497, 2007 | 52 | 2007 |
| Deep learning in systems medicine H Wang, E Pujos-Guillot, B Comte, JL de Miranda, V Spiwok, I Chorbev, ... Briefings in Bioinformatics 22 (2), 1543-1559, 2021 | 44 | 2021 |
Igor TvaroskaInstitute of Chemistry, Slovak Academy of Sciences, Bratislava, SlovakiaVerified email at savba.sk