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

Year Number of Results
2005 136
2006 176
2007 217
2008 225
2009 348
2010 341
2011 448
2012 598
2013 568
2014 575
2015 617
2016 600
2017 607
2018 664
2019 648
2020 696
2021 664
2022 651
2023 805
2024 239

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Page 1
Editorial: Quantum Computing for Chemistry.
Evangelista FA, Batista VS. Evangelista FA, et al. J Chem Theory Comput. 2023 Nov 14;19(21):7435-7436. doi: 10.1021/acs.jctc.3c01043. J Chem Theory Comput. 2023. PMID: 37961754 No abstract available.
Computational Design of Peptide Assemblies.
Min J, Rong X, Zhang J, Su R, Wang Y, Qi W. Min J, et al. J Chem Theory Comput. 2024 Jan 23;20(2):532-550. doi: 10.1021/acs.jctc.3c01054. Epub 2024 Jan 11. J Chem Theory Comput. 2024. PMID: 38206800 Review.
Alchemical Free Energy Calculations on Membrane-Associated Proteins.
Papadourakis M, Sinenka H, Matricon P, Hénin J, Brannigan G, Pérez-Benito L, Pande V, van Vlijmen H, de Graaf C, Deflorian F, Tresadern G, Cecchini M, Cournia Z. Papadourakis M, et al. J Chem Theory Comput. 2023 Nov 14;19(21):7437-7458. doi: 10.1021/acs.jctc.3c00365. Epub 2023 Oct 30. J Chem Theory Comput. 2023. PMID: 37902715 Review.
Pragmatic Coarse-Graining of Proteins: Models and Applications.
Borges-Araújo L, Patmanidis I, Singh AP, Santos LHS, Sieradzan AK, Vanni S, Czaplewski C, Pantano S, Shinoda W, Monticelli L, Liwo A, Marrink SJ, Souza PCT. Borges-Araújo L, et al. J Chem Theory Comput. 2023 Oct 24;19(20):7112-7135. doi: 10.1021/acs.jctc.3c00733. Epub 2023 Oct 3. J Chem Theory Comput. 2023. PMID: 37788237 Review.
JCTC Inaugural 2024 Early Career Advisory Board.
Gagliardi L, De Vivo M. Gagliardi L, et al. J Chem Theory Comput. 2024 Jan 23;20(2):491. doi: 10.1021/acs.jctc.3c01426. J Chem Theory Comput. 2024. PMID: 38258452 No abstract available.
Modeling pH-Dependent Biomolecular Photochemistry.
Pieri E, Weingart O, Huix-Rotllant M, Ledentu V, Garavelli M, Ferré N. Pieri E, et al. J Chem Theory Comput. 2024 Jan 23;20(2):842-855. doi: 10.1021/acs.jctc.3c00980. Epub 2024 Jan 10. J Chem Theory Comput. 2024. PMID: 38198619
Introduction to Machine Learning for Molecular Simulation.
Jackson NE, Savoie BM, Statt A, Webb MA. Jackson NE, et al. J Chem Theory Comput. 2023 Jul 25;19(14):4335-4337. doi: 10.1021/acs.jctc.3c00735. J Chem Theory Comput. 2023. PMID: 37489106 No abstract available.
All-Atom Biomolecular Simulation in the Exascale Era.
Beck TL, Carloni P, Asthagiri DN. Beck TL, et al. J Chem Theory Comput. 2024 Mar 12;20(5):1777-1782. doi: 10.1021/acs.jctc.3c01276. Epub 2024 Feb 21. J Chem Theory Comput. 2024. PMID: 38382017 Review.
9,150 results