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DADApy: Distance-based analysis of data-manifolds in Python.
Glielmo A, Macocco I, Doimo D, Carli M, Zeni C, Wild R, d'Errico M, Rodriguez A, Laio A. Glielmo A, et al. Among authors: laio a. Patterns (N Y). 2022 Sep 19;3(10):100589. doi: 10.1016/j.patter.2022.100589. eCollection 2022 Oct 14. Patterns (N Y). 2022. PMID: 36277821 Free PMC article.
The generalized ratios intrinsic dimension estimator.
Denti F, Doimo D, Laio A, Mira A. Denti F, et al. Among authors: laio a. Sci Rep. 2022 Nov 21;12(1):20005. doi: 10.1038/s41598-022-20991-1. Sci Rep. 2022. PMID: 36411305 Free PMC article.
Ranking the information content of distance measures.
Glielmo A, Zeni C, Cheng B, Csányi G, Laio A. Glielmo A, et al. Among authors: laio a. PNAS Nexus. 2022 Apr 14;1(2):pgac039. doi: 10.1093/pnasnexus/pgac039. eCollection 2022 May. PNAS Nexus. 2022. PMID: 36713323 Free PMC article.
Intrinsic Dimension Estimation for Discrete Metrics.
Macocco I, Glielmo A, Grilli J, Laio A. Macocco I, et al. Among authors: laio a. Phys Rev Lett. 2023 Feb 10;130(6):067401. doi: 10.1103/PhysRevLett.130.067401. Phys Rev Lett. 2023. PMID: 36827575
Coarse-Grained Molecular Dynamics with Normalizing Flows.
Tamagnone S, Laio A, Gabrié M. Tamagnone S, et al. Among authors: laio a. J Chem Theory Comput. 2024 Sep 2. doi: 10.1021/acs.jctc.4c00700. Online ahead of print. J Chem Theory Comput. 2024. PMID: 39223750
Solvation thermodynamics from cavity shapes of amino acids.
Azizi K, Laio A, Hassanali A. Azizi K, et al. Among authors: laio a. PNAS Nexus. 2023 Jul 26;2(8):pgad239. doi: 10.1093/pnasnexus/pgad239. eCollection 2023 Aug. PNAS Nexus. 2023. PMID: 37545648 Free PMC article.
128 results