| Martini 3: a general purpose force field for coarse-grained molecular dynamics PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ... Nature methods 18 (4), 382-388, 2021 | 918 | 2021 |
| Membrane thickness, lipid phase and sterol type are determining factors in the permeability of membranes to small solutes J Frallicciardi, J Melcr, P Siginou, SJ Marrink, B Poolman Nature communications 13 (1), 1605, 2022 | 173 | 2022 |
| Accurate binding of sodium and calcium to a POPC bilayer by effective inclusion of electronic polarization J Melcr, H Martinez-Seara, R Nencini, J Kolafa, P Jungwirth, OHS Ollila The Journal of Physical Chemistry B 122 (16), 4546-4557, 2018 | 115 | 2018 |
| Molecular electrometer and binding of cations to phospholipid bilayers A Catte, M Girych, M Javanainen, C Loison, J Melcr, MS Miettinen, ... Physical Chemistry Chemical Physics 18 (47), 32560-32569, 2016 | 94 | 2016 |
| Accurate biomolecular simulations account for electronic polarization J Melcr, JP Piquemal Frontiers in molecular biosciences 6, 143, 2019 | 65 | 2019 |
| Headgroup structure and cation binding in phosphatidylserine lipid bilayers H Antila, P Buslaev, F Favela-Rosales, TM Ferreira, I Gushchin, ... The Journal of Physical Chemistry B 123 (43), 9066-9079, 2019 | 62 | 2019 |
| Improved cation binding to lipid bilayers with negatively charged POPS by effective inclusion of electronic polarization J Melcr, TM Ferreira, P Jungwirth, OHS Ollila Journal of chemical theory and computation 16 (1), 738-748, 2019 | 51 | 2019 |
| Transmembrane potential modeling: comparison between methods of constant electric field and ion imbalance J Melcr, D Bonhenry, S Timr, P Jungwirth Journal of Chemical Theory and Computation 12 (5), 2418-2425, 2016 | 41 | 2016 |
| Estimation of transition-metal empirical parameters for molecular mechanical force fields F Sebesta, V Sláma, J Melcr, Z Futera, JV Burda Journal of chemical theory and computation 12 (8), 3681-3688, 2016 | 33 | 2016 |
| Inverse conformational selection in lipid–protein binding A Bacle, P Buslaev, R Garcia-Fandino, F Favela-Rosales, ... Journal of the American Chemical Society 143 (34), 13701-13709, 2021 | 32 | 2021 |
| Dual resolution membrane simulations using virtual sites Y Liu, AH De Vries, J Barnoud, W Pezeshkian, J Melcr, SJ Marrink The Journal of Physical Chemistry B 124 (19), 3944-3953, 2020 | 30 | 2020 |
| Lateral membrane organization as target of an antimicrobial peptidomimetic compound A Melcrová, S Maity, J Melcr, NAW de Kok, M Gabler, J van der Eyden, ... Nature Communications 14 (1), 4038, 2023 | 16 | 2023 |
| Asymmetric CorA gating mechanism as observed by molecular dynamics simulations M Nemchinova, J Melcr, TA Wassenaar, SJ Marrink, A Guskov Journal of chemical information and modeling 61 (5), 2407-2417, 2021 | 15 | 2021 |
| Quantitative linear dichroism imaging of molecular processes in living cells made simple by open software tools A Bondar, O Rybakova, J Melcr, J Dohnálek, P Khoroshyy, O Ticháček, ... Communications biology 4 (1), 189, 2021 | 8 | 2021 |
| Membrane manipulation by free fatty acids improves microbial plant polyphenol synthesis A Tharmasothirajan, J Melcr, J Linney, T Gensch, K Krumbach, KM Ernst, ... Nature Communications 14 (1), 5619, 2023 | 7 | 2023 |
| Simulations of POPC lipid bilayer in water solution at various NaCl, KCl and CaCl2 concentrations using ECC-POPC force field; 2019 J Melcr DOI, 0 | 6 | |
| Adaptive response to wine selective pressures shapes the genome of a Saccharomyces interspecies hybrid M Lairón-Peris, GL Castiglioni, SJ Routledge, J Alonso-del-Real, ... Microbial genomics 7 (8), 000628, 2021 | 3 | 2021 |
| The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior KB Pedersen, HI Ingólfsson, DP Ramirez-Echemendia, L Borges-Araújo, ... | 1 | 2024 |
| Distinct Interactions of Sodium and Calcium Cations and Neutral Phospholipid Membranes and How to Simulate Them H Martinez-Seara, M Javanainen, A Melcrová, P Jurkiewicz, P Jungwirth, ... Biophysical Journal 116 (3), 90a-91a, 2019 | | 2019 |
| Simulation of processes in cellular membranes J Melcr Univerzita Karlova, Matematicko-fyzikální fakulta, 2018 | | 2018 |
Hector Martinez-SearaInstitute of Organic Chemistry and Biochemistry, Czech Academy of SciencesAdresse e-mail validée de uochb.cas.cz