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Machine learned coarse-grained protein force-fields: Are we there yet?
Durumeric AEP, Charron NE, Templeton C, Musil F, Bonneau K, Pasos-Trejo AS, Chen Y, Kelkar A, Noé F, Clementi C. Durumeric AEP, et al. Curr Opin Struct Biol. 2023 Apr;79:102533. doi: 10.1016/j.sbi.2023.102533. Epub 2023 Jan 31. Curr Opin Struct Biol. 2023. PMID: 36731338 Free PMC article. Review.
OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining.
Peng Y, Pak AJ, Durumeric AEP, Sahrmann PG, Mani S, Jin J, Loose TD, Beiter J, Voth GA. Peng Y, et al. Among authors: durumeric aep. J Phys Chem B. 2023 Oct 12;127(40):8537-8550. doi: 10.1021/acs.jpcb.3c04473. Epub 2023 Oct 4. J Phys Chem B. 2023. PMID: 37791670 Free PMC article.
Bottom-up Coarse-Graining: Principles and Perspectives.
Jin J, Pak AJ, Durumeric AEP, Loose TD, Voth GA. Jin J, et al. Among authors: durumeric aep. J Chem Theory Comput. 2022 Oct 11;18(10):5759-5791. doi: 10.1021/acs.jctc.2c00643. Epub 2022 Sep 7. J Chem Theory Comput. 2022. PMID: 36070494 Free PMC article. Review.
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