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Information Bottleneck Approach for Markov Model Construction.
Wang D, Qiu Y, Beyerle ER, Huang X, Tiwary P. Wang D, et al. J Chem Theory Comput. 2024 Jun 25;20(12):5352-5367. doi: 10.1021/acs.jctc.4c00449. Epub 2024 Jun 10. J Chem Theory Comput. 2024. PMID: 38859575 Free PMC article.
State predictive information bottleneck.
Wang D, Tiwary P. Wang D, et al. J Chem Phys. 2021 Apr 7;154(13):134111. doi: 10.1063/5.0038198. J Chem Phys. 2021. PMID: 33832235
AlphaFold2-RAVE: From Sequence to Boltzmann Ranking.
Vani BP, Aranganathan A, Wang D, Tiwary P. Vani BP, et al. Among authors: wang d. J Chem Theory Comput. 2023 Jul 25;19(14):4351-4354. doi: 10.1021/acs.jctc.3c00290. Epub 2023 May 12. J Chem Theory Comput. 2023. PMID: 37171364 Free PMC article.
From Latent Dynamics to Meaningful Representations.
Wang D, Wang Y, Evans L, Tiwary P. Wang D, et al. Among authors: wang y. J Chem Theory Comput. 2024 May 14;20(9):3503-3513. doi: 10.1021/acs.jctc.4c00249. Epub 2024 Apr 22. J Chem Theory Comput. 2024. PMID: 38649368
63,287 results
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