| Molecular-dynamics simulations of urea nucleation from aqueous solution M Salvalaglio, C Perego, F Giberti, M Mazzotti, M Parrinello Proceedings of the National Academy of Sciences 112 (1), E6-E14, 2015 | 149 | 2015 |
| Self-assembled poly-catenanes from supramolecular toroidal building blocks S Datta, Y Kato, S Higashiharaguchi, K Aratsu, A Isobe, T Saito, ... Nature 583 (7816), 400-405, 2020 | 128 | 2020 |
| Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures T Bian, A Gardin, J Gemen, L Houben, C Perego, B Lee, N Elad, Z Chu, ... Nature chemistry 13 (10), 940-949, 2021 | 65 | 2021 |
| Molecular factors controlling the isomerization of azobenzenes in the cavity of a flexible coordination cage L Pesce, C Perego, AB Grommet, R Klajn, GM Pavan Journal of the American Chemical Society 142 (21), 9792-9802, 2020 | 61 | 2020 |
| Molecular dynamics simulations of solutions at constant chemical potential C Perego, M Salvalaglio, M Parrinello The Journal of chemical physics 142 (14), 144113, 2015 | 60 | 2015 |
| Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation A Ozcan, C Perego, M Salvalaglio, M Parrinello, O Yazaydin Chemical science 8 (5), 3858-3865, 2017 | 57 | 2017 |
| Extensive comparison among target normal sheath acceleration theoretical models C Perego, A Zani, D Batani, M Passoni Nuclear Instruments and Methods in Physics Research Section A: Accelerators …, 2011 | 37 | 2011 |
| Advances in target normal sheath acceleration theory M Passoni, C Perego, A Sgattoni, D Batani Physics of Plasmas 20 (6), 060701, 2013 | 30 | 2013 |
| Solvent‐driven supramolecular wrapping of self‐assembled structures G Moreno‐Alcántar, A Aliprandi, R Rouquette, L Pesce, K Wurst, ... Angewandte Chemie 133 (10), 5467-5473, 2021 | 29 | 2021 |
| Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning … C Empereur-Mot, L Pesce, G Doni, D Bochicchio, R Capelli, C Perego, ... ACS omega 5 (50), 32823-32843, 2020 | 25 | 2020 |
| Exploring the potential of benzene-1, 3, 5-tricarboxamide supramolecular polymers as biomaterials S Varela-Aramburu, G Morgese, L Su, SMC Schoenmakers, M Perrone, ... Biomacromolecules 21 (10), 4105-4115, 2020 | 23 | 2020 |
| Porous covalent organic nanotubes and their assembly in loops and toroids K Koner, S Karak, S Kandambeth, S Karak, N Thomas, L Leanza, ... Nature Chemistry 14 (5), 507-514, 2022 | 22 | 2022 |
| Chemical potential calculations in dense liquids using metadynamics C Perego, F Giberti, M Parrinello The European Physical Journal Special Topics 225, 1621-1628, 2016 | 22 | 2016 |
| A cannibalistic approach to grand canonical crystal growth T Karmakar, PM Piaggi, C Perego, M Parrinello Journal of chemical theory and computation 14 (5), 2678-2683, 2018 | 21 | 2018 |
| Computational methods in the study of self-entangled proteins: a critical appraisal C Perego, R Potestio Journal of Physics: Condensed Matter 31 (44), 443001, 2019 | 16 | 2019 |
| Development of the PETAL laser facility and its diagnostic tools D Batani, S Hulin, JE Ducret, E d’Humieres České vysoké učení technické v Praze, 2013 | 16 | 2013 |
| Target normal sheath acceleration analytical modeling, comparative study and developments C Perego, D Batani, A Zani, M Passoni Review of Scientific Instruments 83 (2), 02B502, 2012 | 13 | 2012 |
| Chemical potential calculations in non-homogeneous liquids C Perego, O Valsson, M Parrinello The Journal of Chemical Physics 149 (7), 072305, 2018 | 10 | 2018 |
| Molecular communications in complex systems of dynamic supramolecular polymers M Crippa, C Perego, AL de Marco, GM Pavan Nature Communications 13 (1), 2162, 2022 | 9 | 2022 |
| Multiscale Molecular Modelling of ATP‐Fueled Supramolecular Polymerisation and Depolymerisation C Perego, L Pesce, R Capelli, SJ George, GM Pavan ChemSystemsChem 3 (2), e2000038, 2021 | 9 | 2021 |
Giovanni M. PavanFull Professor at Politecnico di Torino (IT) & at SUPSI (CH)Verified email at polito.it
