Homology modeling, force field design, and free energy simulation studies to optimize the activities of histone deacetylase inhibitors

By Park Hwangseo   Lee Sangyoub  

Journal of Computer-Aided Molecular Design, Vol. 18, Iss. 6, 2004-06 ,pp. : 375-388

Springer Publishing Company

Access to resources Recommend Favorite

Comparison of a homology model and the crystallographic structure of human 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) in a structure-based identification of inhibitors

By Miguet Laurence   Zhang Ziding   Barbier Maryse   Grigorov Martin  

Journal of Computer-Aided Molecular Design, Vol. 20, Iss. 2, 2006-02 ,pp. : 67-81

Springer Publishing Company

Access to resources Recommend Favorite

Molecular design of two sterol 14α-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole

By Rupp Bernd   Raub Stephan   Marian Christel   Höltje Hans-Dieter  

Journal of Computer-Aided Molecular Design, Vol. 19, Iss. 3, 2005-03 ,pp. : 149-163

Springer Publishing Company

Access to resources Recommend Favorite

Model of full-length HIV-1 integrase complexed with viral DNA as template for anti-HIV drug design

By Karki Rajeshri   Tang Yun   Burke Terrence   Nicklaus Marc  

Journal of Computer-Aided Molecular Design, Vol. 18, Iss. 12, 2004-12 ,pp. : 739-760

Springer Publishing Company

Access to resources Recommend Favorite

BODIL: a molecular modeling environment for structure-function analysis and drug design

By Lehtonen Jukka   Still Dan-Johan   Rantanen Ville-v.   Ekholm Jan   Björklund Dag   Iftikhar Zuhair   Huhtala Mikko   Repo Susanna   Jussila Antti   Jaakkola Jussi   Pentikäinen Olli   Nyrönen Tommi   Salminen Tiina   Gyllenberg Mats   Johnson Mark  

Journal of Computer-Aided Molecular Design, Vol. 18, Iss. 6, 2004-06 ,pp. : 401-419

Springer Publishing Company

Access to resources Recommend Favorite