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

Year Number of Results
1993 2
1994 1
2003 3
2004 9
2005 15
2006 6
2007 4
2008 8
2009 3
2010 6
2011 5
2012 7
2013 5
2014 13
2015 17
2016 7
2017 6
2018 4
2019 11
2020 8
2021 8
2022 9
2023 14
2024 1

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167 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. Among authors: york dm. 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.
Enzyme transition states from theory and experiment.
Harris ME, Piccirilli JA, York DM. Harris ME, et al. Among authors: york dm. Biochim Biophys Acta. 2015 Nov;1854(11):1727-8. doi: 10.1016/j.bbapap.2015.08.006. Epub 2015 Aug 22. Biochim Biophys Acta. 2015. PMID: 26302659 No abstract available.
ACES: Optimized Alchemically Enhanced Sampling.
Lee TS, Tsai HC, Ganguly A, York DM. Lee TS, et al. Among authors: york dm. J Chem Theory Comput. 2023 Jan 11:10.1021/acs.jctc.2c00697. doi: 10.1021/acs.jctc.2c00697. Online ahead of print. J Chem Theory Comput. 2023. PMID: 36630672
CHARMM: the biomolecular simulation program.
Brooks BR, Brooks CL 3rd, Mackerell AD Jr, Nilsson L, Petrella RJ, Roux B, Won Y, Archontis G, Bartels C, Boresch S, Caflisch A, Caves L, Cui Q, Dinner AR, Feig M, Fischer S, Gao J, Hodoscek M, Im W, Kuczera K, Lazaridis T, Ma J, Ovchinnikov V, Paci E, Pastor RW, Post CB, Pu JZ, Schaefer M, Tidor B, Venable RM, Woodcock HL, Wu X, Yang W, York DM, Karplus M. Brooks BR, et al. Among authors: york dm. J Comput Chem. 2009 Jul 30;30(10):1545-614. doi: 10.1002/jcc.21287. J Comput Chem. 2009. PMID: 19444816 Free PMC article. Review.
Update on Advocacy.
York DM. York DM. J Nucl Med Technol. 2021 Dec;49(4):8A. J Nucl Med Technol. 2021. PMID: 34862265 Free article. No abstract available.
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis.
Weissman B, Ekesan Ş, Lin HC, Gardezi S, Li NS, Giese TJ, McCarthy E, Harris ME, York DM, Piccirilli JA. Weissman B, et al. Among authors: york dm. J Am Chem Soc. 2023 Feb 8;145(5):2830-2839. doi: 10.1021/jacs.2c10079. Epub 2023 Jan 27. J Am Chem Soc. 2023. PMID: 36706353 Free PMC article.
Using AMBER18 for Relative Free Energy Calculations.
Song LF, Lee TS, Zhu C, York DM, Merz KM Jr. Song LF, et al. Among authors: york dm. J Chem Inf Model. 2019 Jul 22;59(7):3128-3135. doi: 10.1021/acs.jcim.9b00105. Epub 2019 Jun 20. J Chem Inf Model. 2019. PMID: 31244091 Free PMC article.
167 results