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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculationsCarlo A Pignedoli, Alessandro Curioni, Wanda AndreoniPhysical Review Letters|March 16, 2007
Towards a parameter-free characterization of charge transfer via hopping: the case of tris(8-hydroxyquinolato) aluminumSalomon R Billeter, Alessandro Curioni, Wanda AndreoniThe Journal of Physical Chemistry. A|July 6, 2021
Carbon Dioxide under Earth Mantle Conditions: From a Molecular Liquid through a Reactive Fluid to Polymeric RegimesMathieu Moog, Fabio Pietrucci, A Marco SaittaThe Journal of Chemical Physics|January 7, 2023
Free energy calculations and unbiased molecular dynamics targeting the liquid-liquid transition in water no man's landAlexandre Jedrecy, A Marco Saitta, Fabio PietrucciJournal of Chemical Theory and Computation|August 7, 2023
Optimal Reaction Coordinates and Kinetic Rates from the Projected Dynamics of Transition PathsLine Mouaffac, Karen Palacio-Rodriguez, Fabio PietrucciThe Journal of Physical Chemistry. B|February 19, 2010
Optimizing the performance of bias-exchange metadynamics: folding a 48-residue LysM domain using a coarse-grained modelPilar Cossio, Fabrizio Marinelli, Alessandro Laio, et al.Chembiochem : a European Journal of Chemical Biology|March 5, 2003
The binding mode of progesterone to its receptor deduced from molecular dynamics simulationsTiziana Mordasini, Alessandro Curioni, Roberta Bursi, et al.Physical Review Letters|July 13, 2004
Effects of nitridation on the characteristics of silicon dioxide: dielectric and structural properties from ab initio calculationsDominik Fischer, Alessandro Curioni, Salomon Billeter, et al.Plos Computational Biology|August 8, 2009
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsFabrizio Marinelli, Fabio Pietrucci, Alessandro Laio, et al.Physics of Life Reviews|September 24, 2018
Prebiotic chemistry and origins of life research with atomistic computer simulationsAndrea Pérez-Villa, Fabio Pietrucci, A Marco SaittaPageof 8