Nicklaus MC - Search Results

1

Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries.

Song RX, Nicklaus MC, Tarasova NI. Song RX, et al. Among authors: nicklaus mc. J Comput Aided Mol Des. 2024 May 16;38(1):22. doi: 10.1007/s10822-024-00562-4. J Comput Aided Mol Des. 2024. PMID: 38753096 Free PMC article.

2

Effects of tyrphostins, protein kinase inhibitors, on human immunodeficiency virus type 1 integrase.

Mazumder A, Gazit A, Levitzki A, Nicklaus M, Yung J, Kohlhagen G, Pommier Y. Mazumder A, et al. Biochemistry. 1995 Nov 21;34(46):15111-22. doi: 10.1021/bi00046a018. Biochemistry. 1995. PMID: 7578125

3

Special Issue on Reaction Informatics and Chemical Space.

Rarey M, Nicklaus MC, Warr W. Rarey M, et al. Among authors: nicklaus mc. J Chem Inf Model. 2022 May 9;62(9):2009-2010. doi: 10.1021/acs.jcim.2c00390. J Chem Inf Model. 2022. PMID: 35527682 No abstract available.

4

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

5

Chemical structure indexing of toxicity data on the internet: moving toward a flat world.

Richard AM, Gold LS, Nicklaus MC. Richard AM, et al. Among authors: nicklaus mc. Curr Opin Drug Discov Devel. 2006 May;9(3):314-25. Curr Opin Drug Discov Devel. 2006. PMID: 16729727 Review.

6

Discovery of thioether-bridged cyclic pentapeptides binding to Grb2-SH2 domain with high affinity.

Jiang S, Liao C, Bindu L, Yin B, Worthy KW, Fisher RJ, Burke TR Jr, Nicklaus MC, Roller PP. Jiang S, et al. Among authors: nicklaus mc. Bioorg Med Chem Lett. 2009 May 15;19(10):2693-8. doi: 10.1016/j.bmcl.2009.03.134. Epub 2009 Mar 29. Bioorg Med Chem Lett. 2009. PMID: 19362470 Free PMC article.

7

Total synthesis and biological evaluation of largazole and derivatives with promising selectivity for cancers cells.

Zeng X, Yin B, Hu Z, Liao C, Liu J, Li S, Li Z, Nicklaus MC, Zhou G, Jiang S. Zeng X, et al. Among authors: nicklaus mc. Org Lett. 2010 Mar 19;12(6):1368-71. doi: 10.1021/ol100308a. Org Lett. 2010. PMID: 20184338 Free PMC article.

8

Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods.

Weidlich IE, Filippov IV, Brown J, Kaushik-Basu N, Krishnan R, Nicklaus MC, Thorpe IF. Weidlich IE, et al. Among authors: nicklaus mc. Bioorg Med Chem. 2013 Jun 1;21(11):3127-37. doi: 10.1016/j.bmc.2013.03.032. Epub 2013 Mar 29. Bioorg Med Chem. 2013. PMID: 23608107 Free PMC article.

9

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

10

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

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