DEL GALDO, SARA

DEL GALDO, SARA  

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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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-2019 Del Galdo S.Barone V.Daidone I. + 1.1 Articolo in rivista
Mechanistic insights into metal ions transit through threefold ferritin channel 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-2018 DEL GALDO, SARAMancini, GiordanoDAIDONE, IsabellaAMADEI, AndreaBarone, Vincenzo + 1.1 Articolo in rivista