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

Year Number of Results
1986 1
1999 1
2001 2
2002 1
2003 1
2004 3
2005 3
2006 3
2007 6
2008 4
2009 4
2010 1
2014 2
2015 2
2018 2
2019 3
2020 2
2021 1
2022 0
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40 results
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Page 1
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field.
Qiu Y, Smith DGA, Boothroyd S, Jang H, Hahn DF, Wagner J, Bannan CC, Gokey T, Lim VT, Stern CD, Rizzi A, Tjanaka B, Tresadern G, Lucas X, Shirts MR, Gilson MK, Chodera JD, Bayly CI, Mobley DL, Wang LP. Qiu Y, et al. Among authors: bayly ci. J Chem Theory Comput. 2021 Oct 12;17(10):6262-6280. doi: 10.1021/acs.jctc.1c00571. Epub 2021 Sep 22. J Chem Theory Comput. 2021. PMID: 34551262
Toward Learned Chemical Perception of Force Field Typing Rules.
Zanette C, Bannan CC, Bayly CI, Fass J, Gilson MK, Shirts MR, Chodera JD, Mobley DL. Zanette C, et al. Among authors: bayly ci. J Chem Theory Comput. 2019 Jan 8;15(1):402-423. doi: 10.1021/acs.jctc.8b00821. Epub 2018 Dec 24. J Chem Theory Comput. 2019. PMID: 30512951 Free PMC article.
Escaping Atom Types in Force Fields Using Direct Chemical Perception.
Mobley DL, Bannan CC, Rizzi A, Bayly CI, Chodera JD, Lim VT, Lim NM, Beauchamp KA, Slochower DR, Shirts MR, Gilson MK, Eastman PK. Mobley DL, et al. Among authors: bayly ci. J Chem Theory Comput. 2018 Nov 13;14(11):6076-6092. doi: 10.1021/acs.jctc.8b00640. Epub 2018 Oct 30. J Chem Theory Comput. 2018. PMID: 30351006 Free PMC article.
Nicotinyl aspartyl ketones as inhibitors of caspase-3.
Isabel E, Black WC, Bayly CI, Grimm EL, Janes MK, McKay DJ, Nicholson DW, Rasper DM, Renaud J, Roy S, Tam J, Thornberry NA, Vaillancourt JP, Xanthoudakis S, Zamboni R. Isabel E, et al. Among authors: bayly ci. Bioorg Med Chem Lett. 2003 Jul 7;13(13):2137-40. doi: 10.1016/s0960-894x(03)00390-1. Bioorg Med Chem Lett. 2003. PMID: 12798321
40 results