Kitaura K - Search Results

1

Binding affinity prediction of non-peptide inhibitors of HIV-1 protease using COMBINE model introduced from peptide inhibitors.

Nakamura S, Nakanishi I, Kitaura K. Nakamura S, et al. Among authors: kitaura k. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6334-7. doi: 10.1016/j.bmcl.2006.09.006. Epub 2006 Oct 5. Bioorg Med Chem Lett. 2006. PMID: 17027266

2

Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein.

Murata K, Nagata N, Nakanishi I, Kitaura K. Murata K, et al. Among authors: kitaura k. J Comput Chem. 2010 Mar;31(4):791-6. doi: 10.1002/jcc.21362. J Comput Chem. 2010. PMID: 19569185

3

Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds.

Hou Z, Nakanishi I, Kinoshita T, Takei Y, Yasue M, Misu R, Suzuki Y, Nakamura S, Kure T, Ohno H, Murata K, Kitaura K, Hirasawa A, Tsujimoto G, Oishi S, Fujii N. Hou Z, et al. Among authors: kitaura k. J Med Chem. 2012 Mar 22;55(6):2899-903. doi: 10.1021/jm2015167. Epub 2012 Mar 7. J Med Chem. 2012. PMID: 22339433

4

Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening.

Nakanishi I, Murata K, Nagata N, Kurono M, Kinoshita T, Yasue M, Miyazaki T, Takei Y, Nakamura S, Sakurai A, Iwamoto N, Nishiwaki K, Nakaniwa T, Sekiguchi Y, Hirasawa A, Tsujimoto G, Kitaura K. Nakanishi I, et al. Among authors: kitaura k. Eur J Med Chem. 2015;96:396-404. doi: 10.1016/j.ejmech.2015.04.032. Epub 2015 Apr 15. Eur J Med Chem. 2015. PMID: 25912672

5

Molecular recognition mechanism of FK506 binding protein: an all-electron fragment molecular orbital study.

Nakanishi I, Fedorov DG, Kitaura K. Nakanishi I, et al. Among authors: kitaura k. Proteins. 2007 Jul 1;68(1):145-58. doi: 10.1002/prot.21389. Proteins. 2007. PMID: 17387719

6

Cl-pi interactions in protein-ligand complexes.

Imai YN, Inoue Y, Nakanishi I, Kitaura K. Imai YN, et al. Among authors: kitaura k. Protein Sci. 2008 Jul;17(7):1129-37. doi: 10.1110/ps.033910.107. Epub 2008 Apr 23. Protein Sci. 2008. PMID: 18434503 Free PMC article.

7

Cluster hydration model for binding energy calculations of protein-ligand complexes.

Murata K, Fedorov DG, Nakanishi I, Kitaura K. Murata K, et al. Among authors: kitaura k. J Phys Chem B. 2009 Jan 22;113(3):809-17. doi: 10.1021/jp805007f. J Phys Chem B. 2009. PMID: 19117385

8

Binding free energy calculations of adenosine deaminase inhibitor and the effect of methyl substitution in inhibitors.

Kosugi T, Nakanishi I, Kitaura K. Kosugi T, et al. Among authors: kitaura k. J Chem Inf Model. 2009 Mar;49(3):615-22. doi: 10.1021/ci8002667. J Chem Inf Model. 2009. PMID: 19243169

9

Amide-pi interactions between formamide and benzene.

Imai YN, Inoue Y, Nakanishi I, Kitaura K. Imai YN, et al. Among authors: kitaura k. J Comput Chem. 2009 Nov 15;30(14):2267-76. doi: 10.1002/jcc.21212. J Comput Chem. 2009. PMID: 19263433

10

Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.

Sekiguchi Y, Nakaniwa T, Kinoshita T, Nakanishi I, Kitaura K, Hirasawa A, Tsujimoto G, Tada T. Sekiguchi Y, et al. Among authors: kitaura k. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. doi: 10.1016/j.bmcl.2009.04.076. Epub 2009 Apr 22. Bioorg Med Chem Lett. 2009. PMID: 19414254

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

211 results

Search Page

Filters