Surrogate docking: structure-based virtual screening at high throughput speed

By Yoon Sukjoon   Smellie Andrew   Hartsough David   Filikov Anton  

Journal of Computer-Aided Molecular Design, Vol. 19, Iss. 7, 2005-07 ,pp. : 483-497

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

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

By Seeliger Daniel   Groot Bert  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 5, 2010-05 ,pp. : 417-422

Springer Publishing Company

Access to resources Recommend Favorite

The 3D Structure of the Binding Pocket of the Human Oxytocin Receptor for Benzoxazine Antagonists, Determined by Molecular Docking, Scoring Functions and 3D-QSAR Methods

By Jójárt Balázs   Martinek Tamás   Márki Árpád  

Journal of Computer-Aided Molecular Design, Vol. 19, Iss. 5, 2005-05 ,pp. : 341-356

Springer Publishing Company

Access to resources Recommend Favorite

Structure-based prediction of free energy changes of binding of PTP1B inhibitors

By Wang Jing   Ling Chan Shek   Ramnarayan Kal  

Journal of Computer-Aided Molecular Design, Vol. 17, Iss. 8, 2003-08 ,pp. : 495-513

Springer Publishing Company

Access to resources Recommend Favorite