Our Science – Nicklaus Website
Marc C. Nicklaus, Ph.D.
Selected Publications |
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| 1)
Weidlich IE, Filippov IV, Brown J, Kaushik-Basu N, Krishnan R, Nicklaus MC, Thorpe IF. Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods. Bioorg. Med. Chem. [Epub ahead of print], 2013. [Journal] |
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| 2)
Peach ML, Zakharov AV, Liu R, Pugliese A, Tawa G, Wallqvist A, Nicklaus MC. Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software. Future Med Chem. 4: 1907-32, 2012. [Journal] |
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| 3)
Zakharov AV, Peach ML, Sitzmann M, Filippov IV, McCartney HJ, Smith LH, Pugliese A, Nicklaus MC. Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes. Future Med Chem. 4: 1933-44, 2012. [Journal] |
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| 4)
Muresan S, Sitzmann M, Southan C. Mapping between databases of compounds and protein targets. Methods Mol. Biol. 910: 145-64, 2012. [Journal] |
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| 5)
Geczy T, Peach ML, El Kazzouli S, Sigano DM, Kang J, Valle CJ, Selezneva J, Woo W, Kedei N, Lewin NE, Garfield SH, Lim L, Mannan P, Marquez VE, Blumberg PM. Molecular Basis for Failure of "Atypical" C1 Domain of Vav1 to Bind Diacylglycerol/Phorbol Ester. J. Biol. Chem. 287: 13137-58, 2012. [Journal] |
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| 6)
Sitzmann M, Weidlich IE, Filippov IV, Liao C, Peach ML, Ihlenfeldt WD, Karki RG, Borodina YV, Cachau RE, Nicklaus MC. PDB ligand conformational energies calculated quantum-mechanically. J Chem Inf Model. 52: 739-56, 2012. [Journal] |
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| 7)
Yao Z, Xu Y, Zhang M, Jiang S, Nicklaus MC, Liao C. Discovery of a novel hybrid from finasteride and epristeride as 5-alpha-reductase inhibitor. Bioorg. Med. Chem. Lett. 21: 475-8, 2011. [Journal] |
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| 8)
O'Boyle NM, Guha R, Willighagen EL, Adams SE, Alvarsson J, Bradley JC, Filippov IV, Hanson RM, Hanwell MD, Hutchison GR, James CA, Jeliazkova N, Lang AS, Langner KM, Lonie DC, Lowe DM, Pansanel J, Pavlov D, Spjuth O, Steinbeck C, Tenderholt AL, Theisen KJ, Murray-Rust P. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J Cheminform. 3: 37, 2011. [Journal] |
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| 9)
Liao C, Sitzmann M, Pugliese A, Nicklaus MC. Software and resources for computational medicinal chemistry. Future Med Chem. 3: 1057-85, 2011. [Journal] |
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| 10)
Yun SM, Moulaei T, Lim D, Bang JK, Park JE, Shenoy SR, Liu F, Kang YH, Liao C, Soung NK, Lee S, Yoon DY, Lim Y, Lee DH, Otaka A, Appella E, McMahon JB, Nicklaus MC, Burke TR, Yaffe MB, Wlodawer A, Lee KS. Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1. Nat. Struct. Mol. Biol. 18: 516, 2011. [Journal] |
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| Click Here to View Expanded Bibliography. |
This page was last updated on 5/6/2013.
