- Protein superfolds are characterised as frustration-free topologies: A case study of pure parallel β-sheet topologies
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Research Article | published 07 Aug 2024 PLOS Computational Biology
- DepoScope: Accurate phage depolymerase annotation and domain delineation using large language models
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Software | published 05 Aug 2024 PLOS Computational Biology
- A comprehensive exploration of the druggable conformational space of protein kinases using AI-predicted structures
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Research Article | published 24 Jul 2024 PLOS Computational Biology
- Protein stability prediction by fine-tuning a protein language model on a mega-scale dataset
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Research Article | published 22 Jul 2024 PLOS Computational Biology
- Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows
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Education | published 20 Jun 2024 PLOS Computational Biology
- ECOD domain classification of 48 whole proteomes from AlphaFold Structure Database using DPAM2
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Research Article | published 28 Feb 2024 PLOS Computational Biology
- Reconciling ASPP-p53 binding mode discrepancies through an ensemble binding framework that bridges crystallography and NMR data
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Research Article | published 07 Feb 2024 PLOS Computational Biology
- The SKMT Algorithm: A method for assessing and comparing underlying protein entanglement
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Research Article | published 27 Nov 2023 PLOS Computational Biology
- Pathfinder: Protein folding pathway prediction based on conformational sampling
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Research Article | published 11 Sep 2023 PLOS Computational Biology
- Elucidation of genome-wide understudied proteins targeted by PROTAC-induced degradation using interpretable machine learning
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Research Article | published 17 Aug 2023 PLOS Computational Biology
- Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes
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Research Article | published 01 Aug 2023 PLOS Computational Biology
- Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock
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Research Article | published 22 May 2023 PLOS Computational Biology
- Inferring assembly-curving trends of bacterial micro-compartment shell hexamers from crystal structure arrangements
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Research Article | published 05 Apr 2023 PLOS Computational Biology
- Dissecting peripheral protein-membrane interfaces
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Research Article | published 14 Dec 2022 PLOS Computational Biology
- Soft disorder modulates the assembly path of protein complexes
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Research Article | published 17 Nov 2022 PLOS Computational Biology
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