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Publications (21)

  • Hierarchical quantum embedding by machine learning for large molecular assemblies
    arXiv preprint arXiv:2503.03928 2025
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  • Machine Learning Enhanced Calculation of Quantum-Classical Binding Free Energies
    arXiv preprint arXiv:2503.03955 2025
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  • Decoding Phospho-Regulation and Flanking Regions in Autophagy-Associated Short Linear Motifs: A Case Study of Optineurin-LC3B Interaction
    2023 DOI: 10.1101/2023.09.30.560296
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  • N-of-one differential gene expression without control samples using a deep generative model
    2023 DOI: 10.1101/2023.01.27.525843
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  • Decoding Phospho-Regulation and Flanking Regions in Autophagy-Associated Short Linear Motifs: A Case Study of Optineurin-LC3B Interaction
    BioRxiv 2023
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  • N-of-one differential gene expression without control samples using a deep generative model
    Genome Biology 2023
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  • PyInteraph2 and PyInKnife2 to analyze networks in protein structural ensembles
    Journal of Chemical Information and Modeling 2023
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  • RosettaDDGPrediction for high-throughput mutational scans: From stability to binding
    Protein Science 2023
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  • Cancer-related Mutations with Local or Long-range Effects on an Allosteric Loop of p53
    Journal of Molecular Biology 2022
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  • MAVISp: A modular structure-based framework for genomic variant interpretation
    2022
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  • Short linear motifs in cell death pathways under the lens of structural biology
    2022
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  • Structural details of BH3 motifs and BH3-mediated interactions: an updated perspective
    Frontiers in Molecular Biosciences 2022
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  • psntools-a Python package for protein structure network analysis
    bioRxiv 2022
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  • Bcl-xL dynamics under the lens of protein structure networks
    The Journal of Physical Chemistry B 2021
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  • Disease-associated mutations impacting BC-loop flexibility trigger long-range transthyretin tetramer destabilization and aggregation
    Journal of Biological Chemistry 2021
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  • The PyInteraph Workflow for the Study of Interaction Networks From Protein Structural Ensembles
    Allostery: Methods and Protocols 2021
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  • The conformational and mutational landscape of the ubiquitin-like marker for autophagosome formation in cancer
    Autophagy 2021
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  • Structure and dynamics in the ATG8 family from experimental to computational techniques
    Frontiers in Cell and Developmental Biology 2020
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  • Analyzing biomolecular ensembles
    Biomolecular Simulations: Methods and Protocols 2019
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  • Bcl-xL dynamics and cancer-associated mutations under the lens of protein structure network and biomolecular simulations
    BioRxiv 2019
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