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Journal Articles
- 2023
[j9]Marina Macchiagodena
, Marco Pagliai, Piero Procacci:
NE-RDFE: A protocol and toolkit for computing relative dissociation free energies with GROMACS between dissimilar molecules using bidirectional nonequilibrium dual topology schemes. J. Comput. Chem. 44(12): 1221-1230 (2023)- [j8]Lorenzo Briccolani-Bandini, Éric Brémond, Marco Pagliai, Gianni Cardini, Ilaria Ciofini, Carlo Adamo:
Concerted versus stepwise proton transfer reactions in the [2, 2′-bipyridyl]-3-3′-diol molecule: A static and dynamic ab-initio investigation. J. Comput. Chem. 44(30): 2308-2318 (2023) - [j7]Silvia Merlino, Vincenzo Calabrò, Carlotta Giannelli, Lorenzo Marini, Marco Pagliai, Lorenzo Sacco, Marco Bianucci:
The Smart Drifter Cluster: Monitoring Sea Currents and Marine Litter Transport Using Consumer IoT Technologies. Sensors 23(12): 5467 (2023) - 2021
- [j6]Nicola Secciani, Chiara Brogi, Marco Pagliai, Francesco Buonamici, Filippo Gerli, Federica Vannetti, Massimo Bianchini, Yary Volpe, Alessandro Ridolfi:
Wearable Robots: An Original Mechatronic Design of a Hand Exoskeleton for Assistive and Rehabilitative Purposes. Frontiers Neurorobotics 15: 750385 (2021) - [j5]Marina Macchiagodena, Maurice Karrenbrock, Marco Pagliai, Piero Procacci:
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACS. J. Chem. Inf. Model. 61(11): 5320-5326 (2021) - 2019
- [j4]Marina Macchiagodena, Marco Pagliai, Claudia Andreini, Antonio Rosato, Piero Procacci:
Upgrading and Validation of the AMBER Force Field for Histidine and Cysteine Zinc(II)-Binding Residues in Sites with Four Protein Ligands. J. Chem. Inf. Model. 59(9): 3803-3816 (2019) - [j3]Raffaele Limosani, Alessandro Manzi, Alessandro Faggiani, Matteo Bianchi, Marco Pagliai, Alessandro Ridolfi, Benedetto Allotta, Paolo Dario, Filippo Cavallo:
Low-cost solution in international robotic challenge: Lessons learned by Tuscany Robotics Team at ERL Emergency Robots 2017. J. Field Robotics 36(3): 587-601 (2019) - [j2]Libero Paolucci, Emanuele Grasso, Francesco Grasso, Niklas König, Marco Pagliai, Alessandro Ridolfi, Andrea Rindi, Benedetto Allotta:
Development and testing of an efficient and cost-effective underwater propulsion system. J. Syst. Control. Eng. 233(10) (2019) - 2017
- [j1]Marco Pagliai, Giordano Mancini, Ivan Carnimeo, Nicola De Mitri, Vincenzo Barone:
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach. J. Comput. Chem. 38(6): 319-335 (2017)
Coauthor Index
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