DEL GALDO, SARA

DEL GALDO, SARA  

Scuola Normale Superiore  

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Titolo Data di pubblicazione Autori Tipo File
Assessment of Multi-Scale Approaches for Computing UV-Vis Spectra in Condensed Phases: Toward an Effective yet Reliable Integration of Variational and Perturbative QM/MM Approaches 2019 Del Galdo S.Chandramouli B.Mancini G.Barone V. 1.1 Articolo in rivista
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 2020 Mancini G.Del Galdo S.Chandramouli B.Pagliai M.Barone V. 1.1 Articolo in rivista
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 2020 Del Galdo S.Fuse' M.Barone V. 1.1 Articolo in rivista
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory 2018 Del Galdo, SaraDaidone, IsabellaBarone, VincenzoAmadei, Andrea + 1.1 Articolo in rivista
Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code 2017 CARRILLO PARRAMON, OLIVERDel Galdo, SaraMancini, GiordanoAmadei, AndreaBarone, Vincenzo + 1.1 Articolo in rivista
Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces 2019 Del Galdo S.Barone V.Daidone I. + 1.1 Articolo in rivista
Mechanistic insights into metal ions transit through threefold ferritin channel 2019 Chandramouli, BalasubramanianDel Galdo, SaraMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 2018 Chandramouli, BalasubramanianDel Galdo, SaraMancini, GiordanoTasinato, NicolaBarone, Vincenzo 1.2 Recensione in rivista
The ONIOM/PMM Model for Effective Yet Accurate Simulation of Optical and Chiroptical Spectra in Solution: Camphorquinone in Methanol as a Case Study 2020 Del Galdo S.Fuse' M.Barone V. 1.1 Articolo in rivista
Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models 2019 Chandramouli B.Del Galdo S.Fuse M.Barone V.Mancini G. 1.1 Articolo in rivista
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties 2018 DEL GALDO, SARAMancini, GiordanoDAIDONE, IsabellaAMADEI, AndreaBarone, Vincenzo + 1.1 Articolo in rivista