Kyu DY[au] - Search Results

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2016	1
2017	1
2021	1
2024	0

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Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters.

Ehrman JN, Lim VT, Bannan CC, Thi N, Kyu DY, Mobley DL. Ehrman JN, et al. Among authors: kyu dy. J Comput Aided Mol Des. 2021 Mar;35(3):271-284. doi: 10.1007/s10822-020-00367-1. Epub 2021 Jan 28. J Comput Aided Mol Des. 2021. PMID: 33506360 Free PMC article.

Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database.

Matos GDR, Kyu DY, Loeffler HH, Chodera JD, Shirts MR, Mobley DL. Matos GDR, et al. Among authors: kyu dy. J Chem Eng Data. 2017 May 11;62(5):1559-1569. doi: 10.1021/acs.jced.7b00104. Epub 2017 Apr 24. J Chem Eng Data. 2017. PMID: 29056756 Free PMC article.

Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water.

Bannan CC, Calabró G, Kyu DY, Mobley DL. Bannan CC, et al. Among authors: kyu dy. J Chem Theory Comput. 2016 Aug 9;12(8):4015-24. doi: 10.1021/acs.jctc.6b00449. Epub 2016 Aug 1. J Chem Theory Comput. 2016. PMID: 27434695 Free PMC article.

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