Alessandro Laio

Orcid: 0000-0001-9164-7907

According to our database1, Alessandro Laio authored at least 32 papers between 2006 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Metadynamics for Transition Paths in Irreversible Dynamics.
Multiscale Model. Simul., March, 2024

2023
Optimal inference of a generalised Potts model by single-layer transformers with factored attention.
CoRR, 2023

Optimal transfer protocol by incremental layer defrosting.
CoRR, 2023

The geometry of hidden representations of large transformer models.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022
DPCfam: Unsupervised protein family classification by Density Peak Clustering of large sequence datasets.
PLoS Comput. Biol., October, 2022

DADApy: Distance-based analysis of data-manifolds in Python.
Patterns, 2022

Intrinsic dimension estimation for discrete metrics.
CoRR, 2022

Prune and distill: similar reformatting of image information along rat visual cortex and deep neural networks.
Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

Redundant representations help generalization in wide neural networks.
Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

2021
Automatic topography of high-dimensional data sets by non-parametric density peak clustering.
Inf. Sci., 2021

PARCE: Protocol for Amino acid Refinement through Computational Evolution.
Comput. Phys. Commun., 2021

Representation mitosis in wide neural networks.
CoRR, 2021

Ranking the information content of distance measures.
CoRR, 2021

Density Peak clustering of protein sequences associated to a Pfam clan reveals clear similarities and interesting differences with respect to manual family annotation.
BMC Bioinform., 2021

2020
Brain network dynamics during spontaneous strategy shifts and incremental task optimization.
NeuroImage, 2020

Automatic classification of single-molecule force spectroscopy traces from heterogeneous samples.
Bioinform., 2020

Hierarchical nucleation in deep neural networks.
Proceedings of the Advances in Neural Information Processing Systems 33: Annual Conference on Neural Information Processing Systems 2020, 2020

2019
The intrinsic dimension of protein sequence evolution.
PLoS Comput. Biol., 2019

Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2019

Clustering by the local intrinsic dimension: the hidden structure of real-world data.
CoRR, 2019

Intrinsic dimension of data representations in deep neural networks.
Proceedings of the Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, 2019

2018
The permeation mechanism of organic cations through a CNG mimic channel.
PLoS Comput. Biol., 2018

Estimating the intrinsic dimension of datasets by a minimal neighborhood information.
CoRR, 2018

2017
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations.
Comput. Phys. Commun., 2017

2016
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates.
BMC Bioinform., 2016

2015
QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS.
Comput. Phys. Commun., 2015

2014
Metadynamics Simulations Reveal a Na<sup>+</sup> Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT.
PLoS Comput. Biol., 2014

2013
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures.
Comput. Phys. Commun., 2013

2012
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations.
Comput. Phys. Commun., 2012

2010
Exploring the Universe of Protein Structures beyond the Protein Data Bank.
PLoS Comput. Biol., 2010

2009
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations.
PLoS Comput. Biol., 2009

2006
A comparative theoretical study of dipeptide solvation in water.
J. Comput. Chem., 2006


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