| In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force R Menichetti, KH Kanekal, K Kremer, T Bereau The Journal of Chemical Physics 147 (12), 125101, 2017 | 29 | 2017 |
| Drug–membrane permeability across chemical space R Menichetti, KH Kanekal, T Bereau ACS central science 5 (2), 290-298, 2019 | 19 | 2019 |
| Efficient potential of mean force calculation from multiscale simulations: solute insertion in a lipid membrane R Menichetti, K Kremer, T Bereau Biochemical and biophysical research communications 498 (2), 282-287, 2018 | 12 | 2018 |
| Controlled exploration of chemical space by machine learning of coarse-grained representations C Hoffmann, R Menichetti, KH Kanekal, T Bereau Physical Review E 100 (3), 033302, 2019 | 8 | 2019 |
| Coarse-graining polymer solutions: A critical appraisal of single-and multi-site models G D’Adamo, R Menichetti, A Pelissetto, C Pierleoni The European Physical Journal Special Topics 224 (12), 2239-2267, 2015 | 7 | 2015 |
| Comparing different coarse-grained potentials for star polymers R Menichetti, A Pelissetto The Journal of Chemical Physics 138 (12), 124902, 2013 | 5 | 2013 |
| Thermodynamics of star polymer solutions: A coarse-grained study R Menichetti, A Pelissetto, F Randisi The Journal of Chemical Physics 146 (24), 244908, 2017 | 4 | 2017 |
| An information theory-based approach for optimal model reduction of biomolecules M Giulini, R Menichetti, MS Shell, R Potestio arXiv preprint arXiv:2004.03988, 2020 | 3 | 2020 |
| Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations C Hoffmann, A Centi, R Menichetti, T Bereau Scientific Data 7 (1), 1-7, 2020 | 3 | 2020 |
| Revisiting the Meyer-Overton rule for drug-membrane permeabilities R Menichetti, T Bereau Molecular Physics 117 (20), 2900-2909, 2019 | 3 | 2019 |
| Integral equation analysis of single-site coarse-grained models for polymer–colloid mixtures R Menichetti, G D’Adamo, A Pelissetto, C Pierleoni Molecular Physics 113 (17-18), 2629-2642, 2015 | 3 | 2015 |
| Investigating Drug-Membrane Permeability across Chemical Compound Space using High-Throughput Coarse-Grained Simulations R Menichetti, KH Kanekal, T Bereau Biophysical Journal 116 (3), 318a, 2019 | 1 | 2019 |
| Accelerating the identification of informative reduced representations of proteins with deep learning for graphs F Errica, M Giulini, D Bacciu, R Menichetti, A Micheli, R Potestio arXiv preprint arXiv:2007.08658, 2020 | | 2020 |
| Drug-membrane permeabilities across chemical space R Menichetti, K Kanekal, T Bereau APS 2019, R21. 001, 2019 | | 2019 |
| Computational high-throughput screening of drug-membrane thermodynamics R Menichetti, KH Kanekal, K Kremer, T Bereau APS 2018, S20. 006, 2018 | | 2018 |
| High-Throughput Thermodynamics of Drug-Membrane Interactions from Multiscale Simulations R Menichetti, K Kanekal, K Kremer, T Bereau Biophysical Journal 112 (3), 140a, 2017 | | 2017 |
| Coarse-grained models for polymer solutions and colloid-polymer mixtures R Menichetti | | 2015 |
Kiran H. KanekalMax Planck Institute for Polymer ResearchVerified email at mpip-mainz.mpg.de
