| Going backward: a flexible geometric approach to reverse transformation from coarse grained to atomistic models TA Wassenaar, K Pluhackova, RA Böckmann, SJ Marrink, DP Tieleman Journal of chemical theory and computation 10 (2), 676-690, 2014 | 719 | 2014 |
| Optimization of the OPLS-AA force field for long hydrocarbons SWI Siu, K Pluhackova, RA Böckmann Journal of Chemical theory and Computation 8 (4), 1459-1470, 2012 | 656 | 2012 |
| The multifaceted role of SNARE proteins in membrane fusion J Han, K Pluhackova, RA Böckmann Frontiers in physiology 8, 5, 2017 | 357 | 2017 |
| Vicinal amino alcohols as organocatalysts in asymmetric cross-aldol reaction of ketones: application in the synthesis of convolutamydine A AV Malkov, MA Kabeshov, M Bella, O Kysilka, DA Malyshev, ... Organic letters 9 (26), 5473-5476, 2007 | 214 | 2007 |
| Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field H Valdes, K Pluháčková, M Pitonák, J Řezáč, P Hobza Physical Chemistry Chemical Physics 10 (19), 2747-2757, 2008 | 186 | 2008 |
| Quantum chemical benchmark energy and geometry database for molecular clusters and complex molecular systems (www. begdb. com): a users manual and examples J Řezáč, P Jurečka, KE Riley, J Černý, H Valdes, K Pluháčková, K Berka, ... Collection of Czechoslovak Chemical Communications 73 (10), 1261-1270, 2008 | 173 | 2008 |
| A critical comparison of biomembrane force fields: structure and dynamics of model DMPC, POPC, and POPE bilayers K Pluhackova, SA Kirsch, J Han, L Sun, Z Jiang, T Unruh, RA Böckmann The Journal of Physical Chemistry B 120 (16), 3888-3903, 2016 | 158 | 2016 |
| Structural basis of NINJ1-mediated plasma membrane rupture in cell death M Degen, JC Santos, K Pluhackova, G Cebrero, S Ramos, G Jankevicius, ... Nature, 1-7, 2023 | 128 | 2023 |
| High-throughput simulations of dimer and trimer assembly of membrane proteins. The DAFT approach TA Wassenaar, K Pluhackova, A Moussatova, D Sengupta, SJ Marrink, ... Journal of chemical theory and computation 11 (5), 2278-2291, 2015 | 126 | 2015 |
| Biomembranes in atomistic and coarse-grained simulations K Pluhackova, RA Böckmann Journal of physics: condensed matter 27 (32), 323103, 2015 | 97 | 2015 |
| Dynamic cholesterol-conditioned dimerization of the G protein coupled chemokine receptor type 4 K Pluhackova, S Gahbauer, F Kranz, TA Wassenaar, RA Böckmann PLoS computational biology 12 (11), e1005169, 2016 | 94 | 2016 |
| Critical comparison of biomembrane force fields: protein–lipid interactions at the membrane interface A Sandoval-Perez, K Pluhackova, RA Böckmann Journal of chemical theory and computation 13 (5), 2310-2321, 2017 | 77 | 2017 |
| A coiled-coil peptide shaping lipid bilayers upon fusion M Rabe, C Aisenbrey, K Pluhackova, V de Wert, AL Boyle, DF Bruggeman, ... Biophysical journal 111 (10), 2162-2175, 2016 | 57 | 2016 |
| Extension of the LOPLS-AA force field for alcohols, esters, and monoolein bilayers and its validation by neutron scattering experiments K Pluhackova, H Morhenn, L Lautner, W Lohstroh, KS Nemkovski, ... The Journal of Physical Chemistry B 119 (49), 15287-15299, 2015 | 56 | 2015 |
| Native-like membrane models of E. coli polar lipid extract shed light on the importance of lipid composition complexity K Pluhackova, A Horner BMC biology 19 (1), 1-22, 2021 | 54 | 2021 |
| Closely related, yet unique: Distinct homo-and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol S Gahbauer, K Pluhackova, RA Böckmann PLoS computational biology 14 (3), e1006062, 2018 | 49 | 2018 |
| Stabilisation energy of C 6 H 6⋯ C 6 X 6 (X= F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD (T) levels K Pluháčková, P Jurečka, P Hobza Physical Chemistry Chemical Physics 9 (6), 755-760, 2007 | 48 | 2007 |
| Gasdermin-A3 pore formation propagates along variable pathways SA Mari, K Pluhackova, J Pipercevic, M Leipner, S Hiller, A Engel, ... Nature Communications 13 (1), 2609, 2022 | 37 | 2022 |
| Synaptobrevin transmembrane domain determines the structure and dynamics of the SNARE motif and the linker region J Han, K Pluhackova, D Bruns, RA Böckmann Biochimica Et Biophysica Acta (BBA)-Biomembranes 1858 (4), 855-865, 2016 | 37 | 2016 |
| Spontaneous adsorption of coiled-coil model peptides K and E to a mixed lipid bilayer K Pluhackova, TA Wassenaar, S Kirsch, RA Böckmann The Journal of Physical Chemistry B 119 (12), 4396-4408, 2015 | 35 | 2015 |