- Exploring the potential of structure-based deep learning approaches for T cell receptor design
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Research Article | published 30 Sep 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
- 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
- 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
- chiLife: An open-source Python package for in silico spin labeling and integrative protein modeling
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Research Article | published 31 Mar 2023 PLOS Computational Biology
- Ig-VAE: Generative modeling of protein structure by direct 3D coordinate generation
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Research Article | published 27 Jun 2022 PLOS Computational Biology
- Induced fit with replica exchange improves protein complex structure prediction
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Research Article | published 03 Jun 2022 PLOS Computational Biology
- Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?
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Research Article | published 13 May 2021 PLOS Computational Biology
- Hybridized distance- and contact-based hierarchical structure modeling for folding soluble and membrane proteins
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Research Article | published 23 Feb 2021 PLOS Computational Biology
- REDCRAFT: A computational platform using residual dipolar coupling NMR data for determining structures of perdeuterated proteins in solution
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Research Article | published 01 Feb 2021 PLOS Computational Biology
- ProMod3—A versatile homology modelling toolbox
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Research Article | published 28 Jan 2021 PLOS Computational Biology
- The complexity of protein interactions unravelled from structural disorder
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Research Article | published 08 Jan 2021 PLOS Computational Biology
- Predicting changes in protein thermodynamic stability upon point mutation with deep 3D convolutional neural networks
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Research Article | published 30 Nov 2020 PLOS Computational Biology
- Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs
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Research Article | published 28 Oct 2020 PLOS Computational Biology
- Computer-guided binding mode identification and affinity improvement of an LRR protein binder without structure determination
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Research Article | published 31 Aug 2020 PLOS Computational Biology
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