Identification of ligand efficient, fragment-like hits from an HTS library: structure-based virtual screening and docking investigations of 2 H- and 3 H-pyrazolo tautomers for Aurora kinase A selectivity.

Autor: Sarvagalla, Sailu1, Singh, Vivek1, Ke, Yi-Yu2, Shiao, Hui-Yi2, Lin, Wen-Hsing2, Hsieh, Hsing-Pang2, Hsu, John2, Coumar, Mohane1 mohane@bicpu.edu.in
Zdroj: Journal of Computer-Aided Molecular Design. Jan2015, Vol. 29 Issue 1, p89-100. 12p.
Databáze: Academic Search Ultimate