Consorzio Interuniversitario per lo sviluppo dei Sistemi a Grande Interfase
Center for Colloid and Surface Science
Center for Colloid and Surface Science
Position: PhD Students
Email: luca.sagresti@sns.it
Phone:
Location:
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Breaking the Barriers of Molecular Dynamics With Deep-Learning: Opportunities, Pitfalls, and How to Navigate Them
- Bonneau K. - Pasos-Trejo A.S. - Plainer M. - Luca Sagresti - Venturin J. - Zaporozhets I. - Caruso A. - Rolando E. - Guljas A. - Klein L. - Schebek M. - Albani F. - López-Ríos de Castro R. - El Machachi Z. - Giambagli L. - Clementi C.Simulating Metal Complex Formation and Ligand Exchange: Unraveling the Interplay between Entropy, Kinetics, and Mechanisms on the Chelate Effect
- Luca Sagresti - Benedetti L. - Merz K.M. - Giuseppe BrancatoUnprecedented “off-pathway” [2+2] Cycloaddition-Retroelectrocyclization Reaction Between an Unsymmetric Alkyne and Tetracyanoquinodimethane
- Fernández-Vera O. - Luca Sagresti - Mateo L.M. - Torres T. - Giuseppe Brancato - Bottari G.Ion-Induced Dipole Interactions Matter in Metadynamics Simulation of Transition Metal Ion Transporters
- Jafari M. - Luca Sagresti - Hu J. - Merz K.M.Ion-Induced Dipole Interactions Matter in Metadynamics Simulation of Transition Metal Ion Transporters
- Jafari M. - Luca Sagresti - Hu J. - Merz K.M.Molecular insights into substrate translocation in an elevator-type metal transporter
- Zhang Y. - Jafari M. - Zhang T. - Sui D. - Luca Sagresti - Merz K.M. - Hu J.Simulating Metal-Imidazole Complexes
- Li Z. - Bhowmik S. - Luca Sagresti - Giuseppe Brancato - Smith M. - Benson D.E. - Li P. - Merz K.M.Thermodynamics of Metal-Acetate Interactions
- Jafari M. - Li Z. - Song L.F. - Luca Sagresti - Giuseppe Brancato - Merz K.M.Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics
- Raffo A. - Gagliardi L. - Fugacci U. - Luca Sagresti - Grandinetti S. - Giuseppe Brancato - Biasotti S. - Rocchia W.Stochastic Model of Solvent Exchange in the First Coordination Shell of Aqua Ions
- Luca Sagresti - Peri L. - Ceccarelli G. - Giuseppe BrancatoConsorzio interuniversitario per lo sviluppo dei Sistemi a Grande Interfase
Department of Chemistry, University of Florence - Via della Lastruccia 3 50019 - Sesto Fiorentino (FI)
Fiscal code/VAT ID: 04519240487
PEC : consorzio_csgi@pec.it
Filippo Baldereschi
baldereschi@csgi.unifi.it
055-4573035
Emanuela Grassi
emanuela@csgi.unifi.it
055-4573147
Irene Trapani
trapani@csgi.unifi.it
055-4573036
Manola Trastulli
manola@csgi.unifi.it
055-4573034
Michele Baglioni
webmaster@csgi.unifi.it
055-4573026
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webmaster@csgi.unifi.it
055-4573031
Fabio Nicoli (Website designer)
nicolifabio71@gmail.com