Kathleen A. Durkin - researchr alias

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Viewing Publication 1 - 4 from 4

2022

Predicting the binding of small molecules to nuclear receptors using machine learningEttayapuram Ramaprasad Azhagiya Singam, Martyn T. Smith, David McCoy, Alan E. Hubbard, Michele A. La Merrill, Kathleen A. Durkin. bib, 23(3), 2022. [doi]

2003

Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compoundsNorman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii, Kathleen A. Durkin. jcc, 24(12):1447-1472, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effectJenn-Huei Lii, Kuo-Hsiang Chen, Kathleen A. Durkin, Norman L. Allinger. jcc, 24(12):1473-1489, 2003. [doi]

2000

Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3/MM4)Norman L. Allinger, Kathleen A. Durkin. jcc, 21(14):1229-1242, 2000. [doi]

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