GemAffinity: a scoring function for predicting binding affinity and Virtual Screening

By Hsu Kai-Cheng   Chen Yen-Fu   Yang Jinn-Moon  

International Journal of Data Mining and Bioinformatics, Vol. 6, Iss. 1, 2012-02 ,pp. : 27-41

Inderscience Publishers

Access to resources Recommend Favorite

Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening

By Melagraki Georgia   Afantitis Antreas   Sarimveis Haralambos   Koutentis Panayiotis   Markopoulos John   Igglessi-Markopoulou Olga  

Journal of Computer-Aided Molecular Design, Vol. 21, Iss. 5, 2007-05 ,pp. : 251-267

Springer Publishing Company

Access to resources Recommend Favorite

Design of Ligand Binding to an Engineered Protein Cavity Using Virtual Screening and Thermal Up-shift Evaluation

By Machicado Claudia   López-Llano Jon   Cuesta-López Santiago   Bueno Marta   Sancho Javier  

Journal of Computer-Aided Molecular Design, Vol. 19, Iss. 6, 2005-06 ,pp. : 421-443

Springer Publishing Company

Access to resources Recommend Favorite

Towards the chemometric dissection of peptide – HLA-A*0201 binding affinity: comparison of local and global QSAR models

By Doytchinova Irini   Walshe Valerie   Borrow Persephone   Flower Darren  

Journal of Computer-Aided Molecular Design, Vol. 19, Iss. 3, 2005-03 ,pp. : 203-212

Springer Publishing Company

Access to resources Recommend Favorite

A Virtual Active Compound Produced from the Negative Image of a Ligand-binding Pocket, and its Application to in-silico Drug Screening

By Fukunishi Yoshifumi   Kubota Satoru   Kanai Chisato   Nakamura Haruki  

Journal of Computer-Aided Molecular Design, Vol. 20, Iss. 4, 2006-04 ,pp. : 237-248

Springer Publishing Company

Access to resources Recommend Favorite