Alessandro Laio
Active 1999–2026
- 96
- Papers
- 26,308
- Citations
- 47
- h-index
- 80
- i10-index
Citations
Citation sources
Countries
Institutions
Fields
- Computer Science35%
- Biochemistry, Genetics and Molecular Biology26.4%
- Engineering9%
- Medicine6.6%
- Physics and Astronomy6.5%
- Materials Science5.8%
- Other10.7%
Topics
- Protein Structure and Dynamics8.1%
- Advanced Clustering Algorithms Research5.6%
- Computational Drug Discovery Methods3.5%
- Face and Expression Recognition3.1%
- Complex Network Analysis Techniques2.6%
- Machine Learning in Materials Science2.2%
- Other74.9%
Coauthors
- Michele Parrinello16
- Alex Rodriguez13
- Aldo Glielmo8
- Diego Doimo8
- Fabio Pietrucci8
- Francesco Luigi Gervasio7
- Pilar Cossio6
- Ursula Röthlisberger6
- Elena Facco5
- Giovanni Bussi5
- Antonietta Mira4
- Fabrizio Marinelli4
- Federica Gerace4
- Iuri Macocco4
- Marco Baroni4
- Michele Allegra4
- Riccardo Rende4
- Santiago Acevedo4
- Alessio Ansuini3
- Bernd Ensing3
- Carlo Camilloni3
- Elena Tea Russo3
- Fahimeh Baftizadeh3
- Francesca Rizzato3
All papers
- Clustering by fast search and find of density peaks
Authors: Álex Rodríguez, Alessandro Laio - Science 2014 cited by 5,033
- Escaping free-energy minima
Authors: Alessandro Laio, Michele Parrinello - National Academy of Sciences, Proceedings of the National Academy of Sciences 2002 cited by 5,716
- Promoting transparency and reproducibility in enhanced molecular simulations
Authors: Massimiliano Bonomi, Massimiliano Bonomi, Mattia Bernetti, Andrea Cesari, Alessandro Laio, Giovanni Bussi, Cristina Paissoni, Carlo Camilloni, Gareth A. Tribello, Pavel Banáš, Peter G. Bolhuis, Bernd Ensing, Sandro Bottaro, Michele Parrinello, Bernd Ensing, Peter G. Bolhuis, Michele Parrinello, Sandro Bottaro, Davide Branduardi, Riccardo Capelli, Paolo Carloni, Wei Chen, Francesco Colizzi, Sandip De, Marco De La Pierre, Haochuan Chen, Haohao Fu, Wei Chen, Francesco Colizzi, Sandip De, Marco De La Pierre, Davide Donadio, Viktor Drobot, Andrew L. Ferguson, Davide Provasi, Marta Filizola, James S. Fraser, James S. Fraser, Piero Gasparotto, Angelos Michaelides, Matteo Salvalaglio, Angelos Michaelides, Piero Gasparotto, Francesco Luigi Gervasio, Francesco Luigi Gervasio, Alejandro Gil-Ley, Fabrizio Marinelli, Toni Giorgino, Thomas Löhr, Michele Vendruscolo, Gabriella T. Heller, Glen M. Hocky, Marcella Iannuzzi, Michele Invernizzi, Michele Parrinello, Michele Invernizzi, GiovanniMaria Piccini, Pablo M. Piaggi, Kim E. Jelfs, Jim Pfaendtner, Adriana Pietropaolo, Evgeny Kirilin, Alessandro Laio, Stefano Raniolo, Vittorio Limongelli, Vittorio Limongelli, Kresten Lindorff‐Larsen, Layla Martin‐Samos, Matteo Masetti, Ralf Meyer, Carla Molteni, Tetsuya Morishita, Marco Nava, Elena Papaleo - Nature Methods 2019 cited by 1,286
- Using metadynamics to explore complex free-energy landscapes
Authors: Giovanni Bussi, Alessandro Laio - Nature Reviews Physics 2020 cited by 735
- Unsupervised Learning Methods for Molecular Simulation Data
Authors: Aldo Glielmo, Brooke E. Husic, Álex Rodríguez, Cecilia Clementi, Frank Noé, Alessandro Laio - Chemical Reviews 2021 cited by 407
- Estimating the intrinsic dimension of datasets by a minimal neighborhood information
Authors: Elena Facco, Maria d'Errico, Alex Rodriguez, Alessandro Laio - Scientific Reports 2017 cited by 360
- Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
Authors: Alessandro Laio, Francesco Luigi Gervasio - Reports on Progress in Physics 2008 cited by 1,640
- Predicting Crystal Structures: The Parrinello-Rahman Method Revisited
Authors: Roman Martoňák, Alessandro Laio, Michele Parrinello - Physical Review Letters 2003 cited by 886
- Efficient Reconstruction of Complex Free Energy Landscapes by Multiple Walkers Metadynamics
Authors: Paolo Raiteri, Alessandro Laio, Francesco Luigi Gervasio, Cristian Micheletti, Michele Parrinello - The Journal of Physical Chemistry B 2005 cited by 640
- Intrinsic dimension of data representations in deep neural networks
Authors: Alessio Ansuini, Alessandro Laio, Jakob H. Macke, Davide Zoccolan - NeurIPS 2019 cited by 425
- A Bias-Exchange Approach to Protein Folding
Authors: Stefano Piana, Alessandro Laio - The Journal of Physical Chemistry B 2007 cited by 605
- Amyloid β Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental Studies
Authors: Jessica Nasica-Labouze, Phuong H. Nguyen, Fabio Sterpone, Olivia Berthoumieu, Nicolae‐Viorel Buchete, Sébastien Côté, Alfonso De Simone, Andrew J. Doig, Peter Faller, Angel E. Garcı́a, Alessandro Laio, Mai Suan Li, Simone Melchionna, Normand Mousseau, Yuguang Mu, Anant K. Paravastu, Samuela Pasquali, David J. Rosenman, Birgit Strodel, Bogdan Tarus, John H. Viles, Tong Zhang, Chunyu Wang, Philippe Derreumaux - Chemical Reviews 2015 cited by 596
- Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics
Authors: Giovanni Bussi, Francesco Luigi Gervasio, Alessandro Laio, Michele Parrinello - Journal of the American Chemical Society 2006 cited by 512
- Emergence of a High-Dimensional Abstraction Phase in Language Transformers
Authors: Emily Cheng, Diego Doimo, Corentin Kervadec, Iuri Macocco, Lei Yu, Alessandro Laio, Marco Baroni - ICLR 2025 cited by 53
- The geometry of hidden representations of large transformer models
Authors: Lucrezia Valeriani, Diego Doimo, Francesca Cuturello, Alessandro Laio, Alessio Ansuini, Alberto Cazzaniga - Advances in Neural Information Processing Systems 36, NeurIPS 2023 cited by 127
- Equilibrium Free Energies from Nonequilibrium Metadynamics
Authors: Giovanni Bussi, Alessandro Laio, Michele Parrinello - Physical Review Letters 2006 cited by 434
- Automatic topography of high-dimensional data sets by non-parametric Density Peak clustering
Authors: Maria d'Errico, Elena Facco, Alessandro Laio, Alex Rodriguez - Information Sciences, Inf. Sci. 2021 cited by 72
- An Efficient Real Space Multigrid QM/MM Electrostatic Coupling
Authors: Teodoro Laino, Fawzi Mohamed, Alessandro Laio, Michele Parrinello - Journal of Chemical Theory and Computation 2005 cited by 283
- DADApy: Distance-based Analysis of DAta-manifolds in Python
Authors: Aldo Glielmo, Iuri Macocco, Diego Doimo, Matteo Carli, Claudio Zeni, Romina Wild, Maria d'Errico, Alex Rodriguez, Alessandro Laio - Patterns 2022 cited by 40
- A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1
Authors: Fabio Pietrucci, Alessandro Laio - Journal of Chemical Theory and Computation 2009 cited by 202
- A Hamiltonian electrostatic coupling scheme for hybrid Car–Parrinello molecular dynamics simulations
Authors: Alessandro Laio, Joost VandeVondele, Ursula Röthlisberger - The Journal of Chemical Physics 2002 cited by 667
- Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water
Authors: Edward Danquah Donkor, Alessandro Laio, Ali Hassanali - Journal of Chemical Theory and Computation 2023 cited by 22
- Flexible Docking in Solution Using Metadynamics
Authors: Francesco Luigi Gervasio, Alessandro Laio, Michele Parrinello - Journal of the American Chemical Society 2005 cited by 290
- Ranking the information content of distance measures
Authors: Aldo Glielmo, Claudio Zeni, Bingqing Cheng, Gábor Csányi, Alessandro Laio - PNAS Nexus 2022 cited by 58
