Alessandro Laio
Affiliations: | 2000-2001 | SISSA, Trieste, Trieste, Friuli-Venezia Giulia, Italy |
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Parents
Sign in to add mentorUrsula Roethlisberger | post-doc | 2000-2001 | SISSA, Trieste |
Michele Parrinello | post-doc | 2002-2005 | Università della Svizzera italiana |
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Publications
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Azizi K, Laio A, Hassanali A. (2023) Solvation thermodynamics from cavity shapes of amino acids. Pnas Nexus. 2: pgad239 |
Donkor ED, Laio A, Hassanali A. (2023) Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water. Journal of Chemical Theory and Computation |
Azizi K, Laio A, Hassanali A. (2021) Model Folded Hydrophobic Polymers Reside in Highly Branched Voids. The Journal of Physical Chemistry Letters. 13: 183-189 |
Sormani G, Rodriguez A, Laio A. (2019) An explicit characterization of the free energy landscape of a protein in the space of all its Cα carbons. Journal of Chemical Theory and Computation |
Ansari N, Laio A, Hassanali AA. (2019) Spontaneously Forming Dendritic Voids in Liquid Water Can Host Small Polymers. The Journal of Physical Chemistry Letters |
Ochoa R, Soler MA, Laio A, et al. (2018) Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids. Physical Chemistry Chemical Physics : Pccp. 20: 25901-25909 |
Laio A, Panagiotopoulos AZ, Zuckerman DM. (2018) Preface: Special Topic on Enhanced Sampling for Molecular Systems. The Journal of Chemical Physics. 149: 072001 |
Rodriguez A, d'Errico M, Facco E, et al. (2018) Computing the free energy without collective variables. Journal of Chemical Theory and Computation |
Soler MA, Fortuna S, de Marco A, et al. (2018) Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories. Physical Chemistry Chemical Physics : Pccp. 20: 3438-3444 |
Škrbić T, Zamuner S, Hong R, et al. (2018) Vibrational entropy estimation can improve binding affinity prediction for non-obligatory protein complexes. Proteins |