Nicklaus MC - Search Results

1

Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.

Xie RH, Bryant GW, Sun G, Nicklaus MC, Heringer D, Frauenheim T, Manaa MR, Smith VH Jr, Araki Y, Ito O. Xie RH, et al. Among authors: nicklaus mc. J Chem Phys. 2004 Mar 15;120(11):5133-47. doi: 10.1063/1.1647532. J Chem Phys. 2004. PMID: 15267383

2

Structure, stability, and NMR properties of lower fullerenes C38-C50 and azafullerene C44N6.

Sun G, Nicklaus MC, Xie RH. Sun G, et al. Among authors: nicklaus mc. J Phys Chem A. 2005 May 26;109(20):4617-22. doi: 10.1021/jp0450181. J Phys Chem A. 2005. PMID: 16833800

3

PROSIT: pseudo-rotational online service and interactive tool, applied to a conformational survey of nucleosides and nucleotides.

Sun G, Voigt JH, Filippov IV, Marquez VE, Nicklaus MC. Sun G, et al. Among authors: nicklaus mc. J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1752-62. doi: 10.1021/ci049881+. J Chem Inf Comput Sci. 2004. PMID: 15446834

4

Prosit, an online service to calculate pseudorotational parameters of nucleosides and nucleotides.

Sun G, Voigt JH, Marquez VE, Nicklaus MC. Sun G, et al. Among authors: nicklaus mc. Nucleosides Nucleotides Nucleic Acids. 2005;24(5-7):1029-32. doi: 10.1081/ncn-200059757. Nucleosides Nucleotides Nucleic Acids. 2005. PMID: 16248085

5

Synthesis and conformational analysis of a locked analogue of carbovir built on a bicyclo[3.1.0]hex-2-enyl template.

Choi Y, Sun G, George C, Nicklaus MC, Kelley JA, Marquez VE. Choi Y, et al. Among authors: nicklaus mc. Nucleosides Nucleotides Nucleic Acids. 2003 Dec;22(12):2077-91. doi: 10.1081/ncn-120026631. Nucleosides Nucleotides Nucleic Acids. 2003. PMID: 14714758

6

Sculpting the bicyclo[3.1.0]hexane template of carbocyclic nucleosides to improve recognition by herpes thymidine kinase.

Comin MJ, Agbaria R, Ben-Kasus T, Huleihel M, Liao C, Sun G, Nicklaus MC, Deschamps JR, Parrish DA, Marquez VE. Comin MJ, et al. Among authors: nicklaus mc. J Am Chem Soc. 2007 May 16;129(19):6216-22. doi: 10.1021/ja0688732. Epub 2007 Apr 24. J Am Chem Soc. 2007. PMID: 17451242

7

Computational chemistry on commodity-type computers.

Nicklaus MC, Williams RW, Bienfait B, Billings ES, Hodoscek M. Nicklaus MC, et al. J Chem Inf Comput Sci. 1998 Sep-Oct;38(5):893-905. doi: 10.1021/ci9800920. J Chem Inf Comput Sci. 1998. PMID: 9770303

8

Using conformationally locked nucleosides to calibrate the anomeric effect: Implications for glycosyl bond stability.

Moon HR, Siddiqui MA, Sun G, Filippov IV, Landsman NA, Lee YC, Adams KM, Barchi JJ, Deschamps JR, Nicklaus MC, Kelley JA, Marquez VE. Moon HR, et al. Among authors: nicklaus mc. Tetrahedron. 2010 Aug 21;66(34):6707-6717. doi: 10.1016/j.tet.2010.06.044. Tetrahedron. 2010. PMID: 21052524 Free PMC article.

9

Enhanced CACTVS browser of the Open NCI Database.

Ihlenfeldt WD, Voigt JH, Bienfait B, Oellien F, Nicklaus MC. Ihlenfeldt WD, et al. Among authors: nicklaus mc. J Chem Inf Comput Sci. 2002 Jan-Feb;42(1):46-57. doi: 10.1021/ci010056s. J Chem Inf Comput Sci. 2002. PMID: 11855965

10

Comprehensive structural studies of 2',3'-difluorinated nucleosides: comparison of theory, solution, and solid state.

Barchi JJ Jr, Karki RG, Nicklaus MC, Siddiqui MA, George C, Mikhailopulo IA, Marquez VE. Barchi JJ Jr, et al. Among authors: nicklaus mc. J Am Chem Soc. 2008 Jul 16;130(28):9048-57. doi: 10.1021/ja800964g. Epub 2008 Jun 18. J Am Chem Soc. 2008. PMID: 18558684 Free PMC article.

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