| Membrane-attached mammalian cytochromes P450: An overview of the membrane's effects on structure, drug binding, and interactions with redox partners M Šrejber, V Navrátilová, M Paloncýová, V Bazgier, K Berka, ... Journal of inorganic biochemistry 183, 117-136, 2018 | 198 | 2018 |
| Behavior of human cytochromes P450 on lipid membranes K Berka, M Paloncýová, P Anzenbacher, M Otyepka The Journal of Physical Chemistry B 117 (39), 11556-11564, 2013 | 125 | 2013 |
| Amphiphilic drug-like molecules accumulate in a membrane below the head group region M Paloncyova, R DeVane, B Murch, K Berka, M Otyepka The Journal of Physical Chemistry B 118 (4), 1030-1039, 2014 | 123 | 2014 |
| Progress and challenges in understanding of photoluminescence properties of carbon dots based on theoretical computations M Langer, M Paloncýová, M Medveď, M Pykal, D Nachtigallová, B Shi, ... Applied Materials Today 22, 100924, 2021 | 116 | 2021 |
| Convergence of free energy profile of coumarin in lipid bilayer M Paloncyova, K Berka, M Otyepka Journal of chemical theory and computation 8 (4), 1200-1211, 2012 | 110 | 2012 |
| Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes G Fabre, I Bayach, K Berka, M Paloncýová, M Starok, C Rossi, JL Duroux, ... Chemical Communications 51 (36), 7713-7716, 2015 | 109 | 2015 |
| Benchmarking of force fields for molecule–membrane interactions M Paloncýová, G Fabre, RH DeVane, P Trouillas, K Berka, M Otyepka Journal of Chemical Theory and Computation 10 (9), 4143-4151, 2014 | 91 | 2014 |
| Structural Dynamics of Carbon Dots in Water and N,N-Dimethylformamide Probed by All-Atom Molecular Dynamics Simulations M Paloncýová, M Langer, M Otyepka Journal of chemical theory and computation 14 (4), 2076-2083, 2018 | 68 | 2018 |
| In silico pharmacology: Drug membrane partitioning and crossing F Di Meo, G Fabre, K Berka, T Ossman, B Chantemargue, M Paloncýová, ... Pharmacological research 111, 471-486, 2016 | 65 | 2016 |
| Molecular insight into affinities of drugs and their metabolites to lipid bilayers M Paloncyova, K Berka, M Otyepka The Journal of Physical Chemistry B 117 (8), 2403-2410, 2013 | 62 | 2013 |
| Structural changes in ceramide bilayers rationalize increased permeation through stratum corneum models with shorter acyl tails M Paloncýová, K Vávrová, Z Sovová, R DeVane, M Otyepka, K Berka The Journal of Physical Chemistry B 119 (30), 9811-9819, 2015 | 61 | 2015 |
| Role of enzyme flexibility in ligand access and egress to active site: bias-exchange metadynamics study of 1, 3, 7-trimethyluric acid in cytochrome P450 3A4 M Paloncýová, V Navrátilová, K Berka, A Laio, M Otyepka Journal of Chemical Theory and Computation 12 (4), 2101-2109, 2016 | 57 | 2016 |
| The role of protein-protein and protein-membrane interactions on P450 function EE Scott, CR Wolf, M Otyepka, SC Humphreys, JR Reed, CJ Henderson, ... Drug metabolism and disposition 44 (4), 576-590, 2016 | 54 | 2016 |
| Role of ionizable lipids in SARS-CoV-2 vaccines as revealed by molecular dynamics simulations: from membrane structure to interaction with mRNA fragments M Paloncýová, P Čechová, M Šrejber, P Kührová, M Otyepka The journal of physical chemistry letters 12 (45), 11199-11205, 2021 | 52 | 2021 |
| Carbon Dots Detect Water-to-Ice Phase Transition and Act as Alcohol Sensors via Fluorescence Turn-Off/On Mechanism S Kalytchuk, L Zdrazil, Z Bad’ura, M Medved’, M Langer, M Paloncyova, ... ACS nano 15 (4), 6582-6593, 2021 | 51 | 2021 |
| Rationalization of reduced penetration of drugs through ceramide gel phase membrane M Paloncýová, RH DeVane, BP Murch, K Berka, M Otyepka Langmuir 30 (46), 13942-13948, 2014 | 41 | 2014 |
| Effect of cholesterol on the structure of membrane-attached cytochrome P450 3A4 V Navrátilová, M Paloncýová, M Kajšová, K Berka, M Otyepka Journal of Chemical Information and Modeling 55 (3), 628-635, 2015 | 40 | 2015 |
| Molecular fluorophores self-organize into C-dot seeds and incorporate into C-dot structures M Langer, M Paloncyova, M Medved’, M Otyepka The Journal of Physical Chemistry Letters 11 (19), 8252-8258, 2020 | 39 | 2020 |
| Conformational behavior and optical properties of a fluorophore dimer as a model of luminescent centers in carbon dots F Siddique, M Langer, M Paloncýová, M Medved’, M Otyepka, ... The Journal of Physical Chemistry C 124 (26), 14327-14337, 2020 | 34 | 2020 |
| Effect of lipid charge on membrane immersion of cytochrome P450 3A4 V Navrátilová, M Paloncýová, K Berka, M Otyepka The Journal of Physical Chemistry B 120 (43), 11205-11213, 2016 | 33 | 2016 |
