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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 393

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6,923 results

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Page 1
AmberTools.
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.
Editorial: Machine Learning in Materials Science.
Merz KM, Choong YS, Cournia Z, Isayev O, Soares TA, Wei GW, Zhu F. Merz KM, et al. J Chem Inf Model. 2024 May 27;64(10):3959-3960. doi: 10.1021/acs.jcim.4c00727. J Chem Inf Model. 2024. PMID: 38798192 No abstract available.
Editorial: Machine Learning in Bio-cheminformatics.
Merz KM, Wei GW, Zhu F. Merz KM, et al. J Chem Inf Model. 2024 Apr 8;64(7):2125-2128. doi: 10.1021/acs.jcim.4c00444. J Chem Inf Model. 2024. PMID: 38587006 No abstract available.
Application of Transformers in Cheminformatics.
Luong KD, Singh A. Luong KD, et al. J Chem Inf Model. 2024 May 30. doi: 10.1021/acs.jcim.3c02070. Online ahead of print. J Chem Inf Model. 2024. PMID: 38815246 Review.
Enhancing Coarse-Grained Models through Machine Learning.
Karmakar T, Soares TA, Merz KM Jr. Karmakar T, et al. J Chem Inf Model. 2024 Apr 22;64(8):2931-2932. doi: 10.1021/acs.jcim.4c00537. J Chem Inf Model. 2024. PMID: 38644772 No abstract available.
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.
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.
Molecular Gas-Phase Conformational Ensembles.
Das S, Merz KM Jr. Das S, et al. J Chem Inf Model. 2024 Feb 12;64(3):749-760. doi: 10.1021/acs.jcim.3c01309. Epub 2024 Jan 11. J Chem Inf Model. 2024. PMID: 38206321
6,923 results