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Enabling equitable and affordable access to novel therapeutics for pandemic preparedness and response via creative intellectual property agreements.
Wellcome Open Res. 2024 Jul 15;9:374. doi: 10.12688/wellcomeopenres.22645.1. eCollection 2024.
Wellcome Open Res. 2024.
PMID: 39184131
Free PMC article.
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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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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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
Free PMC article.
Item in Clipboard
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.
Update in:
J Chem Theory Comput. 2023 Aug 8;19(15):4863-4882. doi: 10.1021/acs.jctc.3c00333.
PMID: 36945557
Free PMC article.
Updated.
Preprint.
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