DEL GALDO, SARA
DEL GALDO, SARA
Scuola Normale Superiore
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.
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.
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach
2020 Del Galdo, S.; Fuse', M.; Barone, V.
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory
2018 Zanetti-Polzi, Laura; Del Galdo, Sara; Daidone, Isabella; D'Abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea
Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code
2017 CARRILLO PARRAMON, Oliver; Del Galdo, Sara; Aschi, Massimiliano; Mancini, Giordano; Amadei, Andrea; Barone, Vincenzo
Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces
2019 Zanetti-Polzi, L.; Biswas, A. D.; Del Galdo, S.; Barone, V.; Daidone, I.
Mechanistic insights into metal ions transit through threefold ferritin channel
2019 Chandramouli, Balasubramanian; Del Galdo, Sara; Mancini, Giordano; Barone, Vincenzo
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches
2018 Chandramouli, Balasubramanian; Del Galdo, Sara; Mancini, Giordano; Tasinato, Nicola; Barone, Vincenzo
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.
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.
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties
2018 DEL GALDO, Sara; Mancini, Giordano; Daidone, Isabella; Zanetti Polzi, Laura; Amadei, Andrea; Barone, Vincenzo