Nicklaus MC - Search Results

1

PDB ligand conformational energies calculated quantum-mechanically.

Sitzmann M, Weidlich IE, Filippov IV, Liao C, Peach ML, Ihlenfeldt WD, Karki RG, Borodina YV, Cachau RE, Nicklaus MC. Sitzmann M, et al. Among authors: nicklaus mc. J Chem Inf Model. 2012 Mar 26;52(3):739-56. doi: 10.1021/ci200595n. Epub 2012 Feb 21. J Chem Inf Model. 2012. PMID: 22303903 Free PMC article.

2

National Cancer Institute Drug Information System 3D database.

Milne GW, Nicklaus MC, Driscoll JS, Wang S, Zaharevitz D. Milne GW, et al. Among authors: nicklaus mc. J Chem Inf Comput Sci. 1994 Sep-Oct;34(5):1219-24. doi: 10.1021/ci00021a032. J Chem Inf Comput Sci. 1994. PMID: 7962217

3

Chem-X and CAMBRIDGE. Comparison of computer generated chemical structures with X-ray crystallographic data.

Nicklaus MC, Milne GW, Zaharevitz D. Nicklaus MC, et al. J Chem Inf Comput Sci. 1993 Jul-Aug;33(4):639-46. doi: 10.1021/ci00014a019. J Chem Inf Comput Sci. 1993. PMID: 8366147

4

Conformational changes of small molecules binding to proteins.

Nicklaus MC, Wang S, Driscoll JS, Milne GW. Nicklaus MC, et al. Bioorg Med Chem. 1995 Apr;3(4):411-28. doi: 10.1016/0968-0896(95)00031-b. Bioorg Med Chem. 1995. PMID: 8581425

5

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

6

PASS biological activity spectrum predictions in the enhanced open NCI database browser.

Poroikov VV, Filimonov DA, Ihlenfeldt WD, Gloriozova TA, Lagunin AA, Borodina YV, Stepanchikova AV, Nicklaus MC. Poroikov VV, et al. Among authors: nicklaus mc. J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):228-36. doi: 10.1021/ci020048r. J Chem Inf Comput Sci. 2003. PMID: 12546557

7

Structure-based design of thioether-bridged cyclic phosphopeptides binding to Grb2-SH2 domain.

Li P, Peach ML, Zhang M, Liu H, Yang D, Nicklaus M, Roller PP. Li P, et al. Bioorg Med Chem Lett. 2003 Mar 10;13(5):895-9. doi: 10.1016/s0960-894x(03)00015-5. Bioorg Med Chem Lett. 2003. PMID: 12617916

8

Azido-containing aryl beta-diketo acid HIV-1 integrase inhibitors.

Zhang X, Pais GC, Svarovskaia ES, Marchand C, Johnson AA, Karki RG, Nicklaus MC, Pathak VK, Pommier Y, Burke TR. Zhang X, et al. Among authors: nicklaus mc. Bioorg Med Chem Lett. 2003 Mar 24;13(6):1215-9. doi: 10.1016/s0960-894x(03)00059-3. Bioorg Med Chem Lett. 2003. PMID: 12643946

9

Differential binding modes of diacylglycerol (DAG) and DAG lactones to protein kinase C (PK-C).

Sigano DM, Peach ML, Nacro K, Choi Y, Lewin NE, Nicklaus MC, Blumberg PM, Marquez VE. Sigano DM, et al. Among authors: nicklaus mc. J Med Chem. 2003 Apr 24;46(9):1571-9. doi: 10.1021/jm020476o. J Med Chem. 2003. PMID: 12699375

10

Potent Grb2-SH2 domain antagonists not relying on phosphotyrosine mimics.

Li P, Zhang M, Long YQ, Peach ML, Liu H, Yang D, Nicklaus M, Roller PP. Li P, et al. Bioorg Med Chem Lett. 2003 Jul 7;13(13):2173-7. doi: 10.1016/s0960-894x(03)00385-8. Bioorg Med Chem Lett. 2003. PMID: 12798329

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