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EspalomaCharge: Machine Learning-Enabled Ultrafast Partial Charge Assignment.
J Phys Chem A. 2024 May 23;128(20):4160-4167. doi: 10.1021/acs.jpca.4c01287. Epub 2024 May 8.
J Phys Chem A. 2024.
PMID: 38717302
Free PMC article.
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC; COVID Moonshot Consortium‡; Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, M…
See abstract for full author list ➔
Boby ML, et al. Among authors: kaminow b.
Science. 2023 Nov 10;382(6671):eabo7201. doi: 10.1126/science.abo7201. Epub 2023 Nov 10.
Science. 2023.
PMID: 37943932
Free PMC article.
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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: kaminow b.
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.
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Pan-human consensus genome significantly improves the accuracy of RNA-seq analyses.
Kaminow B, Ballouz S, Gillis J, Dobin A.
Kaminow B, et al.
Genome Res. 2022 Apr;32(4):738-749. doi: 10.1101/gr.275613.121. Epub 2022 Mar 7.
Genome Res. 2022.
PMID: 35256454
Free PMC article.
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High-Throughput Prediction of MHC Class I and II Neoantigens with MHCnuggets.
Shao XM, Bhattacharya R, Huang J, Sivakumar IKA, Tokheim C, Zheng L, Hirsch D, Kaminow B, Omdahl A, Bonsack M, Riemer AB, Velculescu VE, Anagnostou V, Pagel KA, Karchin R.
Shao XM, et al. Among authors: kaminow b.
Cancer Immunol Res. 2020 Mar;8(3):396-408. doi: 10.1158/2326-6066.CIR-19-0464. Epub 2019 Dec 23.
Cancer Immunol Res. 2020.
PMID: 31871119
Free PMC article.
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