| Pytim: A python package for the interfacial analysis of molecular simulations M Sega, G Hantal, B Fábián, P Jedlovszky Journal of Computational Chemistry 39 (25), 2118-2125, 2018 | 90 | 2018 |
| Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces M Sega, B Fábián, P Jedlovszky The Journal of Chemical Physics 143 (11), 2015 | 58 | 2015 |
| How is the surface tension of various liquids distributed along the interface normal? M Sega, B Fábián, G Horvai, P Jedlovszky The Journal of Physical Chemistry C 120 (48), 27468-27477, 2016 | 48 | 2016 |
| Floating patches of HCN at the surface of their aqueous solutions–can they make “HCN World” plausible? B Fábián, M Szőri, P Jedlovszky The Journal of Physical Chemistry C 118 (37), 21469-21482, 2014 | 47 | 2014 |
| The effect of anaesthetics on the properties of a lipid membrane in the biologically relevant phase: a computer simulation study B Fábián, M Darvas, S Picaud, M Sega, P Jedlovszky Physical Chemistry Chemical Physics 17 (22), 14750-14760, 2015 | 42 | 2015 |
| Nonconverged constraints cause artificial temperature gradients in lipid bilayer simulations S Thallmair, M Javanainen, B Fábián, H Martinez-Seara, SJ Marrink The Journal of Physical Chemistry B 125 (33), 9537-9546, 2021 | 38 | 2021 |
| Martini 3 coarse-grained force field for cholesterol L Borges-Araújo, AC Borges-Araújo, TN Ozturk, DP Ramirez-Echemendia, ... Journal of Chemical Theory and Computation 19 (20), 7387-7404, 2023 | 36 | 2023 |
| Neighbor list artifacts in molecular dynamics simulations H Kim, B Fábián, G Hummer Journal of Chemical Theory and Computation 19 (23), 8919-8929, 2023 | 33 | 2023 |
| Pressure profile calculation with mesh Ewald methods M Sega, B Fábián, P Jedlovszky Journal of Chemical Theory and Computation 12 (9), 4509-4515, 2016 | 30 | 2016 |
| Dynamics of the water molecules at the intrinsic liquid surface as seen from molecular dynamics simulation and identification of truly interfacial molecules analysis B Fabian, MV Senćanski, IN Cvijetic, P Jedlovszky, G Horvai The Journal of Physical Chemistry C 120 (16), 8578-8588, 2016 | 30 | 2016 |
| Lateral pressure profile and free volume properties in phospholipid membranes containing anesthetics B Fábián, M Sega, VP Voloshin, NN Medvedev, P Jedlovszky The Journal of Physical Chemistry B 121 (13), 2814-2824, 2017 | 27 | 2017 |
| The two faces of the liquid ordered phase I Schachter, RO Paananen, B Fábián, P Jurkiewicz, M Javanainen The Journal of Physical Chemistry Letters 13 (5), 1307-1313, 2022 | 24 | 2022 |
| Adsorption of fluorinated methane derivatives at the surface of ice under tropospheric conditions, as seen from grand canonical Monte Carlo simulations I Sumi, B Fábián, S Picaud, P Jedlovszky The Journal of Physical Chemistry C 120 (31), 17386-17399, 2016 | 24 | 2016 |
| Ammonia clathrate hydrate as seen from grand canonical monte carlo simulations B Fábián, S Picaud, P Jedlovszky, A Guilbert-Lepoutre, O Mousis ACS Earth and Space Chemistry 2 (5), 521-531, 2018 | 22 | 2018 |
| Nonzero ideal gas contribution to the surface tension of water M Sega, B Fábián, P Jedlovszky The Journal of Physical Chemistry Letters 8 (12), 2608-2612, 2017 | 22 | 2017 |
| Properties of the liquid–vapor interface of acetone–water mixtures. A computer simulation and itim analysis study B Fábián, B Jójárt, G Horvai, P Jedlovszky The Journal of Physical Chemistry C 119 (22), 12473-12487, 2015 | 21 | 2015 |
| Effect of general anesthetics on the properties of lipid membranes of various compositions G Hantal, B Fábián, M Sega, B Jójárt, P Jedlovszky Biochimica et Biophysica Acta (BBA)-Biomembranes 1861 (3), 594-609, 2019 | 19 | 2019 |
| Single Particle Dynamics at the Intrinsic Surface of Various Apolar, Aprotic Dipolar, and Hydrogen Bonding Liquids As Seen from Computer Simulations B Fábián, M Sega, G Horvai, P Jedlovszky The Journal of Physical Chemistry B 121 (22), 5582-5594, 2017 | 18 | 2017 |
| Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation B Kiss, B Fábián, A Idrissi, M Szőri, P Jedlovszky The Journal of Physical Chemistry B 121 (29), 7147-7155, 2017 | 15 | 2017 |
| Optimal bond constraint topology for molecular dynamics simulations of cholesterol B Fábián, S Thallmair, G Hummer Journal of Chemical Theory and Computation 19 (5), 1592-1601, 2023 | 13 | 2023 |
Marcello SegaAssociate Professor, University College London, Dept. of Chemical EngineeringEmail verificata su ucl.ac.uk