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249 results
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ASEDock-docking based on alpha spheres and excluded volumes.
Goto J, Kataoka R, Muta H, Hirayama N. Goto J, et al. Among authors: hirayama n. J Chem Inf Model. 2008 Mar;48(3):583-90. doi: 10.1021/ci700352q. Epub 2008 Feb 16. J Chem Inf Model. 2008. PMID: 18278891
Chemocavity: specific concavity in protein reserved for the binding of biologically functional small molecules.
Soga S, Shirai H, Kobori M, Hirayama N. Soga S, et al. Among authors: hirayama n. J Chem Inf Model. 2008 Aug;48(8):1679-85. doi: 10.1021/ci800113c. Epub 2008 Jul 22. J Chem Inf Model. 2008. PMID: 18642867
Alpha sphere filter method: Application of pseudomolecular descriptors in virtual screening of 2D chemical structures.
Muta H, Hirayama N. Muta H, et al. Among authors: hirayama n. J Comput Chem. 2010 Aug;31(11):2225-32. doi: 10.1002/jcc.21517. J Comput Chem. 2010. PMID: 20340104
[Docking method for drug discovery].
Hirayama N. Hirayama N. Yakugaku Zasshi. 2007 Jan;127(1):113-22. doi: 10.1248/yakushi.127.113. Yakugaku Zasshi. 2007. PMID: 17202791 Review. Japanese.
HLA-Modeler: Automated Homology Modeling of Human Leukocyte Antigens.
Amari S, Kataoka R, Ikegami T, Hirayama N. Amari S, et al. Among authors: hirayama n. Int J Med Chem. 2013;2013:690513. doi: 10.1155/2013/690513. Epub 2013 Nov 27. Int J Med Chem. 2013. PMID: 25374692 Free PMC article.
Prediction of solubility of drugs by conductor-like screening model for real solvents.
Ikeda H, Chiba K, Kanou A, Hirayama N. Ikeda H, et al. Among authors: hirayama n. Chem Pharm Bull (Tokyo). 2005 Feb;53(2):253-5. doi: 10.1248/cpb.53.253. Chem Pharm Bull (Tokyo). 2005. PMID: 15684531
Ph4Dock: pharmacophore-based protein-ligand docking.
Goto J, Kataoka R, Hirayama N. Goto J, et al. Among authors: hirayama n. J Med Chem. 2004 Dec 30;47(27):6804-11. doi: 10.1021/jm0493818. J Med Chem. 2004. PMID: 15615529
Prediction of solvents suitable for crystallization of small organic molecules.
Hosokawa K, Goto J, Hirayama N. Hosokawa K, et al. Among authors: hirayama n. Chem Pharm Bull (Tokyo). 2005 Oct;53(10):1296-9. doi: 10.1248/cpb.53.1296. Chem Pharm Bull (Tokyo). 2005. PMID: 16204986
Identification of the druggable concavity in homology models using the PLB index.
Soga S, Shirai H, Kobori M, Hirayama N. Soga S, et al. Among authors: hirayama n. J Chem Inf Model. 2007 Nov-Dec;47(6):2287-92. doi: 10.1021/ci7002363. Epub 2007 Oct 13. J Chem Inf Model. 2007. PMID: 17935312
Use of amino acid composition to predict ligand-binding sites.
Soga S, Shirai H, Kobori M, Hirayama N. Soga S, et al. Among authors: hirayama n. J Chem Inf Model. 2007 Mar-Apr;47(2):400-6. doi: 10.1021/ci6002202. Epub 2007 Jan 23. J Chem Inf Model. 2007. PMID: 17243757
249 results
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