| Adaptive resolution simulation of an atomistic protein in MARTINI water J Zavadlav, MN Melo, SJ Marrink, M Praprotnik The Journal of chemical physics 140 (5), 2014 | 100 | 2014 |
| Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting S Thaler, J Zavadlav Nature Communications 12, 6884, 2021 | 71 | 2021 |
| Adaptive resolution simulation of MARTINI solvents J Zavadlav, MN Melo, AV Cunha, AH De Vries, SJ Marrink, M Praprotnik Journal of Chemical Theory and Computation 10 (6), 2591-2598, 2014 | 65 | 2014 |
| Adaptive resolution simulation of a DNA molecule in salt solution J Zavadlav, R Podgornik, M Praprotnik Journal of chemical theory and computation 11 (10), 5035-5044, 2015 | 60 | 2015 |
| Adaptive resolution simulation of polarizable supramolecular coarse-grained water models J Zavadlav, MN Melo, SJ Marrink, M Praprotnik The Journal of chemical physics 142 (24), 244118, 2015 | 50 | 2015 |
| Accelerated simulations of molecular systems through learning of effective dynamics PR Vlachas, J Zavadlav, M Praprotnik, P Koumoutsakos Journal of Chemical Theory and Computation 18 (1), 538-549, 2021 | 42 | 2021 |
| Adaptive resolution simulation of supramolecular water: the concurrent making, breaking, and remaking of water bundles J Zavadlav, SJ Marrink, M Praprotnik Journal of chemical theory and computation 12 (8), 4138-4145, 2016 | 35 | 2016 |
| Adaptive resolution simulation of an atomistic DNA molecule in MARTINI salt solution J Zavadlav, R Podgornik, MN Melo, SJ Marrink, M Praprotnik The European Physical Journal Special Topics 225 (8), 1595-1607, 2016 | 34 | 2016 |
| Order and interactions in DNA arrays: Multiscale molecular dynamics simulation J Zavadlav, R Podgornik, M Praprotnik Scientific Reports 7 (1), 4775-4786, 2017 | 31 | 2017 |
| Deep coarse-grained potentials via relative entropy minimization S Thaler, M Stupp, J Zavadlav The Journal of Chemical Physics 157 (24), 2022 | 30 | 2022 |
| Multiscale simulation of protein hydration using the SWINGER dynamical clustering algorithm. J Zavadlav, SJ Marrink, M Praprotnik Journal of chemical theory and computation 14 (3), 1754-1761, 2018 | 27 | 2018 |
| Open-Boundary Molecular Dynamics of a DNA Molecule in a Hybrid Explicit/Implicit Salt Solution J Zavadlav, J Sablić, R Podgornik, M Praprotnik Biophysical Journal 114 (10), 2352, 2018 | 26 | 2018 |
| Adaptive resolution simulations coupling atomistic water to dissipative particle dynamics J Zavadlav, M Praprotnik The Journal of Chemical Physics 147 (11), 114110, 2017 | 26 | 2017 |
| Adaptive resolution simulations of biomolecular systems J Zavadlav, S Bevc, M Praprotnik European Biophysics Journal 46 (8), 821-835, 2017 | 26 | 2017 |
| Bayesian selection for coarse-grained models of liquid water J Zavadlav, G Arampatzis, P Koumoutsakos Scientific Reports 9 (99), 2019 | 24 | 2019 |
| Tuning the Dielectric Response of Water in Nanoconfinement through Surface Wettability E Papadopoulou, J Zavadlav, R Podgornik, M Praprotnik, ... ACS Nano 15 (12), 20311-20318, 2021 | 20 | 2021 |
| Scalable Bayesian uncertainty quantification for neural network potentials: promise and pitfalls S Thaler, G Doehner, J Zavadlav Journal of Chemical Theory and Computation 19 (14), 4520-4532, 2023 | 19 | 2023 |
| SWINGER: a clustering algorithm for concurrent coupling of atomistic and supramolecular liquids J Zavadlav, SJ Marrink, M Praprotnik Interface Focus 9 (3), 20180075, 2019 | 13 | 2019 |
| Molecular Dynamics Simulation of High Density DNA Arrays R Podgornik, J Zavadlav, M Praprotnik Computation 6 (1), 3, 2018 | 13 | 2018 |
| Accurate machine learning force fields via experimental and simulation data fusion S Röcken, J Zavadlav npj Computational Materials 10 (1), 69, 2024 | 11 | 2024 |
Matej PraprotnikLaboratory for Molecular Modeling, National Institute of Chemistry, Ljubljana, SloveniaPatvirtintas el. paštas cmm.ki.si