藥物設計
参考资料

↑  . 术语在线. 全国科学技术名词审定委员会.  （简体中文）
↑  . 术语在线. 全国科学技术名词审定委员会.  （简体中文）
↑  Madsen U, Krogsgaard-Larsen P, Liljefors T. . Washington, DC: Taylor & Francis. 2002. ISBN 0-415-28288-8.
↑  Reynolds CH, Merz KM, Ringe D (编).  1. Cambridge, UK: Cambridge University Press. 2010.
↑  Shirai H, Prades C, Vita R, Marcatili P, Popovic B, Xu J, Overington JP, Hirayama K, Soga S, Tsunoyama K, Clark D, Lefranc MP, Ikeda K. . Biochimica et Biophysica Acta. Nov 2014, 1844 (11): 2002–2015. PMID 25110827. doi:10.1016/j.bbapap.2014.07.006.
↑  Tollenaere JP. . Pharmacy World & Science. Apr 1996, 18 (2): 56–62. PMID 8739258. S2CID 21550508. doi:10.1007/BF00579706.
↑  . BIO, Informa Pharma Intelligence, and QLS Advisors. Feb 2021  [2023-06-20]. （原始内容存档于2023-02-08）.
↑  Waring MJ, Arrowsmith J, Leach AR, Leeson PD, Mandrell S, Owen RM, Pairaudeau G, Pennie WD, Pickett SD, Wang J, Wallace O, Weir A. . Nature Reviews Drug Discovery. 2015, 14 (7): 475–86. PMID 26091267. S2CID 25292436. doi:10.1038/nrd4609.
↑  Yu H, Adedoyin A. . Drug Discovery Today. Sep 2003, 8 (18): 852–61. PMID 12963322. doi:10.1016/S1359-6446(03)02828-9.
↑  Dixon SJ, Stockwell BR. . Current Opinion in Chemical Biology. Dec 2009, 13 (5–6): 549–55. PMC 2787993 . PMID 19740696. doi:10.1016/j.cbpa.2009.08.003.
↑  Imming P, Sinning C, Meyer A. . Nature Reviews. Drug Discovery. Oct 2006, 5 (10): 821–34. PMID 17016423. S2CID 8872470. doi:10.1038/nrd2132.
↑  Anderson AC. . Chemistry & Biology. Sep 2003, 10 (9): 787–97. PMID 14522049. doi:10.1016/j.chembiol.2003.09.002 .
↑  Recanatini M, Bottegoni G, Cavalli A. . Drug Discovery Today: Technologies. Dec 2004, 1 (3): 209–15. PMID 24981487. doi:10.1016/j.ddtec.2004.10.004.
↑  Wu-Pong S, Rojanasakul Y.  2nd. Totowa, NJ Humana Press: Humana Press. 2008. ISBN 978-1-59745-532-9.
↑  Scomparin A, Polyak D, Krivitsky A, Satchi-Fainaro R. . Biotechnology Advances. Apr 2015, 33 (6): 1294–309. PMID 25916823. doi:10.1016/j.biotechadv.2015.04.008.
↑  Ganellin CR, Jefferis R, Roberts SM. . Elsevier. 2013. ISBN 9780123971760.
↑  Yuan Y, Pei J, Lai L. . Current Pharmaceutical Design. Dec 2013, 19 (12): 2326–33. PMID 23082974. doi:10.2174/1381612811319120019.
↑  Rishton GM. . Drug Discovery Today. Jan 2003, 8 (2): 86–96. PMID 12565011. doi:10.1016/s1359644602025722.
↑  Hopkins AL. Wermuth CG , 编.  3. Academic Press. 2011: 521–527. ISBN 978-0-12-374194-3.
↑  Kirchmair J. . Wiley's Methods and Principles in Medicinal Chemistry 63. Wiley-VCH. 2014. ISBN 978-3-527-67301-8.
↑  Ethiraj SK, Levinthal D. . Administrative Science Quarterly (Sage Publications, Inc. on behalf of the Johnson Graduate School of Management, Cornell University). Sep 2004, 49 (3): 404–437  [2023-05-04]. JSTOR 4131441. S2CID 142910916. SSRN 604123 . doi:10.2307/4131441. （原始内容存档于2022-05-26）.
↑  Fosgerau K, Hoffmann T. . Drug Discovery Today. January 2015, 20 (1): 122–128. PMID 25450771. doi:10.1016/j.drudis.2014.10.003 . Fosgerau K, Hoffmann T (January 2015). "Peptide therapeutics: current status and future directions". Drug Discovery Today. 20 (1): 122–128. doi:10.1016/j.drudis.2014.10.003. PMID 25450771 （页面存档备份，存于）.
↑  Ciemny M, Kurcinski M, Kamel K, Kolinski A, Alam N, Schueler-Furman O, Kmiecik S. . Drug Discovery Today. August 2018, 23 (8): 1530–1537. PMID 29733895. doi:10.1016/j.drudis.2018.05.006 . Ciemny M, Kurcinski M, Kamel K, Kolinski A, Alam N, Schueler-Furman O, Kmiecik S (August 2018). "Protein-peptide docking: opportunities and challenges". Drug Discovery Today. 23 (8): 1530–1537. doi:10.1016/j.drudis.2018.05.006. PMID 29733895 （页面存档备份，存于）.
↑  Lewis RA. . RSC Drug Discovery. Royal Society of Chemistry. 2011: 88–107. ISBN 978-1849731669. doi:10.1039/9781849733410-00088.
↑  Rajamani R, Good AC. . Current Opinion in Drug Discovery & Development. May 2007, 10 (3): 308–15. PMID 17554857.
↑  de Azevedo WF, Dias R. . Current Drug Targets. Dec 2008, 9 (12): 1031–9. PMID 19128212. doi:10.2174/138945008786949405.
↑  Singh J, Chuaqui CE, Boriack-Sjodin PA, Lee WC, Pontz T, Corbley MJ, Cheung HK, Arduini RM, Mead JN, Newman MN, Papadatos JL, Bowes S, Josiah S, Ling LE. . Bioorganic & Medicinal Chemistry Letters. Dec 2003, 13 (24): 4355–9. PMID 14643325. doi:10.1016/j.bmcl.2003.09.028.
↑  Becker OM, Dhanoa DS, Marantz Y, Chen D, Shacham S, Cheruku S, Heifetz A, Mohanty P, Fichman M, Sharadendu A, Nudelman R, Kauffman M, Noiman S. . Journal of Medicinal Chemistry. Jun 2006, 49 (11): 3116–35. PMID 16722631. doi:10.1021/jm0508641.
↑  Liang S, Meroueh SO, Wang G, Qiu C, Zhou Y. . Proteins. May 2009, 75 (2): 397–403. PMC 2656599 . PMID 18831053. doi:10.1002/prot.22252.
↑  Oda A, Tsuchida K, Takakura T, Yamaotsu N, Hirono S. . Journal of Chemical Information and Modeling. 2006, 46 (1): 380–91. PMID 16426072. doi:10.1021/ci050283k.
↑  Deng Z, Chuaqui C, Singh J. . Journal of Medicinal Chemistry. Jan 2004, 47 (2): 337–44. PMID 14711306. doi:10.1021/jm030331x.
↑  Amari S, Aizawa M, Zhang J, Fukuzawa K, Mochizuki Y, Iwasawa Y, Nakata K, Chuman H, Nakano T. . Journal of Chemical Information and Modeling. 2006, 46 (1): 221–30. PMID 16426058. doi:10.1021/ci050262q.
↑   1. Cambridge, UK: Cambridge University Press. 2010. ISBN 978-0521887236. Reynolds CH, Merz KM, Ringe D, eds. (2010). Drug Design: Structure- and Ligand-Based Approaches (1 ed.). Cambridge, UK: Cambridge University Press. ISBN 978-0521887236.
↑  Guner OF. . La Jolla, Calif: International University Line. 2000. ISBN 978-0-9636817-6-8.
↑  Tropsha A.  1st. Cambridge, UK: Cambridge University Press. 2010: 151–164.
↑  Leach AR, Harren J. . Berlin: Springer. 2007. ISBN 978-1-4020-4406-9.
↑  Mauser H, Guba W. . Current Opinion in Drug Discovery & Development. May 2008, 11 (3): 365–74. PMID 18428090.
1 2  Klebe G. . Journal of Molecular Medicine. 2000, 78 (5): 269–81. PMID 10954199. S2CID 21314020. doi:10.1007/s001090000084.
↑  Wang R, Gao Y, Lai L. . Journal of Molecular Modeling. 2000, 6 (7–8): 498–516. S2CID 59482623. doi:10.1007/s0089400060498.
↑  Schneider G, Fechner U. . Nature Reviews. Drug Discovery. Aug 2005, 4 (8): 649–63. PMID 16056391. S2CID 2549851. doi:10.1038/nrd1799.
↑  Jorgensen WL. . Science. Mar 2004, 303 (5665): 1813–8. Bibcode:2004Sci...303.1813J. PMID 15031495. S2CID 1307935. doi:10.1126/science.1096361.
1 2  Yuan Y, Pei J, Lai L. . Current Pharmaceutical Design. Dec 2013, 19 (12): 2326–33. PMID 23082974. doi:10.2174/1381612811319120019. Yuan Y, Pei J, Lai L (Dec 2013). "Binding site detection and druggability prediction of protein targets for structure-based drug design". Current Pharmaceutical Design. 19 (12): 2326–33. doi:10.2174/1381612811319120019. PMID 23082974 （页面存档备份，存于）.
1 2  Leis S, Schneider S, Zacharias M. . Current Medicinal Chemistry. 2010, 17 (15): 1550–62. PMID 20166931. doi:10.2174/092986710790979944.
↑  Warren GL, Warren SD. . RSC Drug Discovery. Royal Society of Chemistry. 2011: 440–457. ISBN 978-1849731669. doi:10.1039/9781849733410-00440.
↑  Böhm HJ. . Journal of Computer-Aided Molecular Design. Jun 1994, 8 (3): 243–56. Bibcode:1994JCAMD...8..243B. PMID 7964925. S2CID 2491616. doi:10.1007/BF00126743.
↑  Liu J, Wang R. . Journal of Chemical Information and Modeling. 23 March 2015, 55 (3): 475–482. PMID 25647463. doi:10.1021/ci500731a.
↑  Ajay, Murcko MA. . J. Med. Chem. 1995, 38 (26): 4953–67. PMID 8544170. doi:10.1021/jm00026a001.
↑  Gramatica P. . RSC Drug Discovery. Royal Society of Chemistry. 2011: 466. ISBN 978-1849731669. doi:10.1039/9781849733410-00458.
↑  Greer J, Erickson JW, Baldwin JJ, Varney MD. . Journal of Medicinal Chemistry. Apr 1994, 37 (8): 1035–54. PMID 8164249. doi:10.1021/jm00034a001.
↑  Timmerman H, Gubernator K, Böhm HJ, Mannhold R, Kubinyi H. . Weinheim: Wiley-VCH. 1998. ISBN 978-3-527-29343-8.
↑  Capdeville R, Buchdunger E, Zimmermann J, Matter A. . Nature Reviews. Drug Discovery. Jul 2002, 1 (7): 493–502. PMID 12120256. S2CID 2728341. doi:10.1038/nrd839.
↑  Klein DF. . JAMA. Mar 2008, 299 (9): 1063–5. PMID 18319418. doi:10.1001/jama.299.9.1063.
基于结构药物设计的常规聚类分析流程图
药物发现周期强调基于配体（间接）和基于结构（直接）的药物设计策略。