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roufa d
(70 results)?
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids.
Cell Stem Cell. 2022 Feb 3;29(2):217-231.e8. doi: 10.1016/j.stem.2021.12.010. Epub 2021 Dec 25.
Cell Stem Cell. 2022.
PMID: 35032430
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, MacLean …
See abstract for full author list ➔
Boby ML, et al. Among authors: rufa da.
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: rufa d.
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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Tuning the Baird aromatic triplet-state energy of cyclooctatetraene to maximize the self-healing mechanism in organic fluorophores.
Pati AK, El Bakouri O, Jockusch S, Zhou Z, Altman RB, Fitzgerald GA, Asher WB, Terry DS, Borgia A, Holsey MD, Batchelder JE, Abeywickrama C, Huddle B, Rufa D, Javitch JA, Ottosson H, Blanchard SC.
Pati AK, et al. Among authors: rufa d.
Proc Natl Acad Sci U S A. 2020 Sep 29;117(39):24305-24315. doi: 10.1073/pnas.2006517117. Epub 2020 Sep 10.
Proc Natl Acad Sci U S A. 2020.
PMID: 32913060
Free PMC article.
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Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex.
Zhang I, Rufa DA, Pulido I, Henry MM, Rosen LE, Hauser K, Singh S, Chodera JD.
Zhang I, et al. Among authors: rufa da.
bioRxiv [Preprint]. 2023 Jun 21:2023.03.07.530278. doi: 10.1101/2023.03.07.530278.
bioRxiv. 2023.
PMID: 36945557
Free PMC article.
Updated.
Preprint.
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Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.
Zhang I, Rufa DA, Pulido I, Henry MM, Rosen LE, Hauser K, Singh S, Chodera JD.
Zhang I, et al. Among authors: rufa da.
J Chem Theory Comput. 2024 Jan 23;20(2):990-991. doi: 10.1021/acs.jctc.3c01298. Epub 2024 Jan 2.
J Chem Theory Comput. 2024.
PMID: 38164914
No abstract available.
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Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.
Zhang I, Rufa DA, Pulido I, Henry MM, Rosen LE, Hauser K, Singh S, Chodera JD.
Zhang I, et al. Among authors: rufa da.
J Chem Theory Comput. 2023 Aug 8;19(15):4863-4882. doi: 10.1021/acs.jctc.3c00333. Epub 2023 Jul 14.
J Chem Theory Comput. 2023.
PMID: 37450482
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