Laio, Alessandro
Laio, Alessandro
"Site binding" of Ca2+ ions to polyacrylates in water: A molecular dynamics study of coiling and aggregation
2007-01-01 Bulo, R. E.; Donadio, D.; Laio, A.; Molnar, F.; Rieger, J.; Parrinello, M.
A bias-exchange approach to protein folding
2007-01-01 Piana, S.; Laio, A.
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations
2013-01-01 Bisha, I; Laio, Alessandro; Magistrato, Alessandra; Giorgetti, A; Sgrignani, J.
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1
2009-01-01 Pietrucci, F.; Laio, A.
A common root for coevolution and substitution rate variability in protein sequence evolution
2019-01-01 Rizzato, F.; Zamuner, S.; Pagnani, A.; Laio, A.
A comparative theoretical study of dipeptide solvation in water
2006-01-01 Hugosson, H. W.; Laio, A.; Maurer, P.; Rothlisberger, U.
A consensus protocol for the in silico optimisation of antibody fragments
2019-01-01 Soler, M. A.; Medagli, B.; Semrau, M. S.; Storici, P.; Bajc, G.; De Marco, A.; Laio, A.; Fortuna, S.
A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation
2013-01-01 Prestipino, S.; Laio, A.; Tosatti, E.
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations
2002-01-01 Laio, A.; Vandevondele, J.; Rothlisberger, U.
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations
2009-01-01 Marinelli, F.; Pietrucci, F.; Laio, A.; Piana, S.
A Markov state modeling analysis of sliding dynamics of a 2D model
2017-01-01 Teruzzi, Martina; Pellegrini, F.; Laio, A.; Tosatti, E.
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion
2004-01-01 Ensing, B.; Laio, A.; Gervasio, F. L.; Parrinello, M.; Klein, M. L.
A molecular spring for vision
2004-01-01 Rohrig, U. F.; Guidoni, L.; Laio, A.; Frank, I.; Rothlisberger, U.
A Monte Carlo approach to the conformal bootstrap
2022-01-01 Laio, A.; Luviano Valenzuela, U.; Serone, M.
A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations
2012-01-01 Ghaemi, Z; Minozzi, M; Carloni, P; Laio, Alessandro
A QUICKSTEP-based quantum mechanics molecular mechanics approach for silica
2006-01-01 Zipoli, F.; Laino, T.; Laio, A.; Bernasconi, M.; Parrinello, M.
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions
2005-01-01 B., Ensing; Laio, Alessandro; M., Parrinello; Ml, Klein
A Rosetta-based protein design protocol converging to natural sequences
2021-01-01 Sormani, G.; Harteveld, Z.; Rosset, S.; Correia, B.; Laio, A.
A simple and efficient statistical potential for scoring ensembles of protein structures
2012-01-01 Cossio, P; Granata, D; Laio, Alessandro; Seno, F; Trovato, Antonio
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels
2015-01-01 Napolitano, Luisa Maria Rosaria; Bisha, Ina; De March, M; Marchesi, Arin; Arcangeletti, Manuel; Demitri, N; Mazzolini, Monica; Rodriguez, A; Magistrato, Alessandra; Onesti, Silvia Caterina Elvira; Laio, Alessandro; Torre, Vincent