| Ground-and excited-state geometry optimization of small organic molecules with quantum Monte Carlo R Guareschi, C Filippi Journal of chemical theory and computation 9 (12), 5513-5525, 2013 | 61 | 2013 |
| Introducing QMC/MMpol: Quantum Monte Carlo in polarizable force fields for excited states R Guareschi, H Zulfikri, C Daday, FM Floris, C Amovilli, B Mennucci, ... Journal of chemical theory and computation 12 (4), 1674-1683, 2016 | 40 | 2016 |
| Electrostatic versus resonance interactions in photoreceptor proteins: The case of rhodopsin R Guareschi, O Valsson, C Curutchet, B Mennucci, C Filippi The journal of physical chemistry letters 7 (22), 4547-4553, 2016 | 30 | 2016 |
| Nintedanib targets KIT D816V neoplastic cells derived from induced pluripotent stem cells of systemic mastocytosis MAS Toledo, M Gatz, S Sontag, KV Gleixner, G Eisenwort, K Feldberg, ... Blood, The Journal of the American Society of Hematology 137 (15), 2070-2084, 2021 | 29 | 2021 |
| Solvent effects on excited-state structures: A quantum Monte Carlo and density functional study R Guareschi, FM Floris, C Amovilli, C Filippi Journal of chemical theory and computation 10 (12), 5528-5537, 2014 | 20 | 2014 |
| Structural prediction of the dimeric form of the mammalian translocator membrane protein TSPO: a key target for brain diagnostics J Zeng, R Guareschi, M Damre, R Cao, A Kless, B Neumaier, A Bauer, ... International journal of molecular sciences 19 (9), 2588, 2018 | 16 | 2018 |
| SophosQM: accurate binding affinity prediction in compound optimization R Guareschi, I Lukac, IH Gilbert, F Zuccotto ACS omega 8 (17), 15083-15098, 2023 | 5 | 2023 |
| Evaluation of 3‐and 4‐Phenoxybenzamides as Selective Inhibitors of the Mono‐ADP‐Ribosyltransferase PARP10 P Korn, A Classen, S Murthy, R Guareschi, MM Maksimainen, BE Lippok, ... ChemistryOpen 10 (10), 939-948, 2021 | 5 | 2021 |
| Dependence of the population on the temperature in the Boltzmann distribution: a simple relation involving the average energy C Angeli, R Cimiraglia, F Dallo, R Guareschi, L Tenti Journal of chemical education 90 (12), 1639-1644, 2013 | 3 | 2013 |
| The lowest singlet states of hexatriene revisited R Guareschi, C Angeli Theoretical Chemistry Accounts 142 (12), 127, 2023 | | 2023 |
| Multiscale modeling of photoreceptor proteins: Squeezing blood from stones H Zulfikri, R Guareschi, C Filippi MESA+ Meeting 2016, 2016 | | 2016 |
| Modeling excited states by random walks in biomolecules of increasing complexity R Guareschi | | 2016 |
| Modeling excited states in complex environments: Solving a polarizing R Guareschi, C Daday, H Zulfikri, C Filippi MESA+ Meeting 2015, 2015 | | 2015 |
| Quantum Monte Carlo with polarizable force fields (QMC/MMpol) for excited states in complex environments R Guareschi, C Daday, H Zulfikri, C Amovilli, FM Floris, C Filippi Poster, Workshop'Stochastic Methods in electronic structure theory', 2015 | | 2015 |
| Quantum Monte Carlo and polarizable force fiel: A first approach to excited states R Guareschi CHAINS 2014: Chemistry as Innovating Science, 2014 | | 2014 |
| Poster P15: Excited states of molecular solutes with Quantum Monte Carlo: vertical transition and geometry optimization FM Floris, R Guareschi, C Amovilli, C Filippi Smart functional materials for shaping our future, 138-139, 2014 | | 2014 |
| Optimal excited-state geometries of small organic molecules with QMC R Guareschi, C Filippi Poster, CODECS Summer School, 2013 | | 2013 |
