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Toward Learned Chemical Perception of Force Field Typing Rules.
Zanette C, Bannan CC, Bayly CI, Fass J, Gilson MK, Shirts MR, Chodera JD, Mobley DL. Zanette C, et al. Among authors: fass j. J Chem Theory Comput. 2019 Jan 8;15(1):402-423. doi: 10.1021/acs.jctc.8b00821. Epub 2018 Dec 24. J Chem Theory Comput. 2019. PMID: 30512951 Free PMC article.
End-to-end differentiable construction of molecular mechanics force fields.
Wang Y, Fass J, Kaminow B, Herr JE, Rufa D, Zhang I, Pulido I, Henry M, Bruce Macdonald HE, Takaba K, Chodera JD. Wang Y, et al. Among authors: fass j. Chem Sci. 2022 Sep 8;13(41):12016-12033. doi: 10.1039/d2sc02739a. eCollection 2022 Oct 26. Chem Sci. 2022. PMID: 36349096 Free PMC article.
Local Resampling Trick for Focused Molecular Dynamics.
Fass J, York F, Wittmann M, Kaus J, Zhao Y. Fass J, et al. J Chem Theory Comput. 2023 Sep 26;19(18):6139-6150. doi: 10.1021/acs.jctc.3c00539. Epub 2023 Sep 14. J Chem Theory Comput. 2023. PMID: 37706456
Comparative analysis of immune infiltrates in head and neck cancers across anatomical sites.
Muijlwijk T, Nijenhuis DNLM, Ganzevles SH, Brink A, Ke C, Fass JN, Rajamanickam V, Leemans CR, Koguchi Y, Fox BA, Poell JB, Brakenhoff RH, van de Ven R. Muijlwijk T, et al. Among authors: fass jn. J Immunother Cancer. 2024 Jan 11;12(1):e007573. doi: 10.1136/jitc-2023-007573. J Immunother Cancer. 2024. PMID: 38212122 Free PMC article.
116 results