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Binding Modes and Metabolism of Caffeine.
Jandova Z, Gill SC, Lim NM, Mobley DL, Oostenbrink C. Jandova Z, et al. Among authors: lim nm. Chem Res Toxicol. 2019 Jul 15;32(7):1374-1383. doi: 10.1021/acs.chemrestox.9b00030. Epub 2019 Jun 11. Chem Res Toxicol. 2019. PMID: 31132250 Free PMC article.
Blind prediction of HIV integrase binding from the SAMPL4 challenge.
Mobley DL, Liu S, Lim NM, Wymer KL, Perryman AL, Forli S, Deng N, Su J, Branson K, Olson AJ. Mobley DL, et al. Among authors: lim nm. J Comput Aided Mol Des. 2014 Apr;28(4):327-45. doi: 10.1007/s10822-014-9723-5. Epub 2014 Mar 5. J Comput Aided Mol Des. 2014. PMID: 24595873 Free PMC article. Review.
Blind prediction of solvation free energies from the SAMPL4 challenge.
Mobley DL, Wymer KL, Lim NM, Guthrie JP. Mobley DL, et al. Among authors: lim nm. J Comput Aided Mol Des. 2014 Mar;28(3):135-50. doi: 10.1007/s10822-014-9718-2. Epub 2014 Mar 11. J Comput Aided Mol Des. 2014. PMID: 24615156 Free PMC article. Review.
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