Showing posts with label Computational. Show all posts
Showing posts with label Computational. Show all posts

Sunday, September 7, 2008

H-bond Analysis - Astellas

Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors. Katayama N, Orita M, Yamaguchi T, Hisamichi H, Kuromitsu S, Kurihara H, Sakashita H, Matsumoto Y, Fujita S, Niimi T.

Saturday, August 23, 2008

PDK1 Modeling - University of Kentucky

Combined 3D-QSAR Modeling and Molecular Docking Study on Indolinone Derivatives as Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase-1. Abdulhameed MD, Hamza A, Liu J, Zhan CG.

Selectivity Prediction - Pfizer

Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis. Sciabola S, Stanton RV, Wittkopp S, Wildman S, Moshinsky D, Potluri S, Xi H.

Wednesday, August 20, 2008

Review of Computational Methods - Cephalon

Knowledge Based Prediction of Ligand Binding Modes and Rational Inhibitor Design for Kinase Drug Discovery. Ghose AK, Herbertz T, Pippin DA, Salvino JM, Mallamo JP.