• E Sarti, S Zamuner, P Cossio, A Laio, F Seno, A Trovato,
    BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures
     COMPUTER PHYSICS COMMUNICATIONS, 184, 2860 (2013)

  • D Granata, C Camilloni, M Vendruscolo, A Laio,
    Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics
     PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF, 110, 6817 (2013)

  • F Baftizadeh, F Pietrucci, X Biarnes, A Laio,
    Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid-beta
     PHYSICAL REVIEW LETTERS, 110, 168103 (2013)

  • I Bisha, A Laio, A Magistrato, A Giorgetti, J Sgrignani,
    A Candidate Ion-Retaining State in the Inward-Facing Conformation of Sodium/Galactose Symporter: Clues from Atomistic Simulations
     JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1240 (2013)

  • RPH Enriquez, S Pavan, F Benedetti, A Tossi, A Savoini, F Berti, A Laio,
    Designing Short Peptides with High Affinity for Organic Molecules: A Combined Docking, Molecular Dynamics and Monte Carlo Approach
     BIOPHYSICAL JOURNAL, 104, 556A (2013)

  • Z Ghaemi, M Minozzi, P Carloni, A Laio,
    A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations
     JOURNAL OF PHYSICAL CHEMISTRY B, 116, 8714 (2012)

  • P Cossio, D Granata, A Laio, F Seno, A Trovato,
    A simple and efficient statistical potential for scoring ensembles of protein structures
     SCIENTIFIC REPORTS, 2, 351 (2012)

  • RPH Enriquez, S Pavan, F Benedetti, A Tossi, A Savoini, F Berti, A Laio,
    Designing Short Peptides with High Affinity for Organic Molecules: A Combined Docking, Molecular Dynamics, And Monte Carlo Approach
     JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 8, 1121 (2012)

  • F Baftizadeh, X Biarnes, F Pietrucci, F Affinito, A Laio,
    Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail
     JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134, 3886 (2012)

  • G Rossetti, P Cossio, A Laio, P Carloni,
    Conformations of the Huntingtin N-term in aqueous solution from atomistic simulations
     FEBS LETTERS, 585, 3086 (2011)

  • L Cardamone, A Laio, V Torre, R Shahapure, A DeSimone,
    Cytoskeletal actin networks in motile cells are critically self-organized systems synchronized by mechanical interactions
     PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF, 108, 13978 (2011)

  • P Cossio, A Laio, F Pietrucci,
    Which similarity measure is better for analyzing protein structures in a molecular dynamics trajectory?
     PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13, 10421 (2011)

  • P Cossio, A Trovato, F Pietrucci, F Seno, A Maritan, A Laio,
    Exploring the Universe of Protein Structures beyond the Protein Data Bank
     PLOS COMPUTATIONAL BIOLOGY, 6, e1000957 (2010)

  • R Shahapure, F Difato, A Laio, G Bisson, E Ercolini, L Amin, E Ferrari, V Torre,
    Force Generation in Lamellipodia Is a Probabilistic Process with Fast Growth and Retraction Events
     BIOPHYSICAL JOURNAL, 98, 979 (2010)

  • F Marinelli, F Pietrucci, A Laio, S Piana,
    A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations
     PLOS COMPUTATIONAL BIOLOGY, 5, e1000452 (2009)

  • F Pietrucci, F Marinelli, P Carloni, A Laio,
    Substrate Binding Mechanism of HIV-1 Protease from Explicit-Solvent Atomistic Simulations
     JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131, 11811 (2009)

  • F Pietrucci, A Laio,
    A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1
     JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 5, 2197 (2009)

  • S Piana, A Laio,
    Advillin Folding Takes Place on a Hypersurface of Small Dimensionality
     PHYSICAL REVIEW LETTERS, 101, 208101 (2008)

  • MC Colombo, J VandeVondele, Doorslaer, Van A Laio, L Guidoni, U Rothlisberger,
    Copper binding sites in the C-terminal domain of mouse prion protein: A hybrid (QM/MM) molecular dynamics study
     PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 70, 1084 (2008)

  • S Piana, A Laio, F Marinelli, Troys, Van D Bourry, C Ampe, JC Martins,
    Predicting the effect of a point mutation on a protein fold: The villin and advillin headpieces and their Pro62Ala mutants
     JOURNAL OF MOLECULAR BIOLOGY, 375, 460 (2008)

  • X Biarnes, A Ardevol, A Planas, C Rovira, A Laio, M Parrinello,
    The conformational free energy landscape of beta-D-glucopyranose. implications for substrate preactivation in beta-glucoside hydrolases
     JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 129, 10686 (2007)

  • S Piana, A Laio,
    A bias-exchange approach to protein folding
     JOURNAL OF PHYSICAL CHEMISTRY B, 111, 4553 (2007)

  • G Bussi, FL Gervasio, A Laio, M Parrinello,
    Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamics
     JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 128, 13435 (2006)

  • UF Rohrig, A Laio, N Tantalo, M Parrinello, R Petronzio,
    Stability and structure of oligomers of the Alzheimer peptide A beta(16-22): From the dimer to the 32-mer
     BIOPHYSICAL JOURNAL, 91, 3217 (2006)

  • A Laio, C Micheletti,
    Are structural biases at protein termini a signature of vectorial folding?
     PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 62, 17 (2006)

  • FL Gervasio, A Laio, M Parrinello, M Boero,
    Charge localization in DNA fibers
     PHYSICAL REVIEW LETTERS, 94, 158103 (2005)

  • FL Gervasio, A Laio, M Parrinello,
    Flexible docking in solution using metadynamics
     JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127, 2600 (2005)

  • UF Rohrig, L Guidoni, A Laio, I Frank, U Rothlisberger,
    A molecular spring for vision
     JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 126, 15328 (2004)

  • FL Gervasio, A Laio, M Iannuzzi, M Parrinello,
    Influence of DNA structure on the reactivity of the guanine radical cation
     CHEMISTRY-A EUROPEAN JOURNAL, 10, 4846 (2004)

  • M Ceccarelli, C Danelon, A Laio, M Parrinello,
    Microscopic mechanism of antibiotics translocation through a porin
     BIOPHYSICAL JOURNAL, 87, 58 (2004)

  • M Sulpizi, A Laio, J VandeVondele, A Cattaneo, U Rothlisberger, P Carloni,
    Reaction mechanism of caspases: Insights from QM/MM Car-Parrinello simulations
     PROTEINS-STRUCTURE FUNCTION AND GENETICS, 52, 212 (2003)

  • A Magistrato, WF DeGrado, A Laio, U Rothlisberger, J VandeVondele, ML Klein,
    Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations
     JOURNAL OF PHYSICAL CHEMISTRY B, 107, 4182 (2003)

  • MC Colombo, L Guidoni, A Laio, A Magistrato, P Maurer, S Piana, U Rohrig, K Spiegel, M Sulpizi, J VandeVondele, M Zumstein, U Rothlisberger,
    Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions
     CHIMIA, 56, 13 (2002)

  • E Orlandini, F Seno, JR Banavar, A Laio, A Maritan,
    Deciphering the folding kinetics of transmembrane helical proteins
     PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF, 97, 14229 (2000)

  • A Laio, V Torre,
    Physical origin of selectivity in ionic channels of biological membranes
     BIOPHYSICAL JOURNAL, 76, 129 (1999)