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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2005 216
2006 280
2007 263
2008 225
2009 268
2010 227
2011 326
2012 317
2013 315
2014 322
2015 271
2016 239
2017 297
2018 293
2019 549
2020 645
2021 587
2022 623
2023 758
2024 303

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6,833 results

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Page 1
Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, Izadi S, Kasavajhala K, Kaymak MC, King E, Kurtzman T, Lee TS, Li P, Liu J, Luchko T, Luo R, Manathunga M, Machado MR, Nguyen HM, O'Hearn KA, Onufriev AV, Pan F, Pantano S, Qi R, Rahnamoun A, Risheh A, Schott-Verdugo S, Shajan A, Swails J, Wang J, Wei H, Wu X, Wu Y, Zhang S, Zhao S, Zhu Q, Cheatham TE 3rd, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM Jr. Case DA, et al. J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8. J Chem Inf Model. 2023. PMID: 37805934 Free PMC article.
AlphaFold2 in Molecular Discovery.
Nunes-Alves A, Merz K. Nunes-Alves A, et al. J Chem Inf Model. 2023 Oct 9;63(19):5947-5949. doi: 10.1021/acs.jcim.3c01459. J Chem Inf Model. 2023. PMID: 37807755 No abstract available.
Redocking the PDB.
Flachsenberg F, Ehrt C, Gutermuth T, Rarey M. Flachsenberg F, et al. J Chem Inf Model. 2024 Jan 8;64(1):219-237. doi: 10.1021/acs.jcim.3c01573. Epub 2023 Dec 18. J Chem Inf Model. 2024. PMID: 38108627
SynRoute: A Retrosynthetic Planning Software.
Latendresse M, Malerich JP, Herson J, Krummenacker M, Szeto J, Vu VA, Collins N, Madrid PB. Latendresse M, et al. J Chem Inf Model. 2023 Sep 11;63(17):5484-5495. doi: 10.1021/acs.jcim.3c00491. Epub 2023 Aug 27. J Chem Inf Model. 2023. PMID: 37635298 Free PMC article.
Introducing the Automated Ligand Searcher.
Jacobsen L, Hungerland J, Bačić V, Gerhards L, Schuhmann F, Solov'yov IA. Jacobsen L, et al. J Chem Inf Model. 2023 Dec 11;63(23):7518-7528. doi: 10.1021/acs.jcim.3c01317. Epub 2023 Nov 20. J Chem Inf Model. 2023. PMID: 37983165 Free PMC article.
Editorial: Editing DNA and RNA through Computations.
Palermo G, Soares TA. Palermo G, et al. J Chem Inf Model. 2023 Dec 25;63(24):7603-7604. doi: 10.1021/acs.jcim.3c01824. J Chem Inf Model. 2023. PMID: 38143420 No abstract available.
Sequence-Dependent Properties of the RNA Duplex.
Battistini F, Sala A, Hospital A, Orozco M. Battistini F, et al. J Chem Inf Model. 2023 Aug 28;63(16):5259-5271. doi: 10.1021/acs.jcim.3c00741. Epub 2023 Aug 14. J Chem Inf Model. 2023. PMID: 37577978
Applications and Advances in Machine Learning Force Fields.
Wu S, Yang X, Zhao X, Li Z, Lu M, Xie X, Yan J. Wu S, et al. J Chem Inf Model. 2023 Nov 27;63(22):6972-6985. doi: 10.1021/acs.jcim.3c00889. Epub 2023 Sep 26. J Chem Inf Model. 2023. PMID: 37751546 Review.
6,833 results