CDRUG: a web server for predicting anticancer activity of chemical compounds

GH Li, JF Huang - Bioinformatics, 2012 - academic.oup.com
Cancer is the leading cause of death worldwide. Screening anticancer candidates from tens
of millions of chemical compounds is expensive and time-consuming. A rapid and user …

Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand

A Negri, J Li, S Naini, BS Coller, M Filizola - Journal of computer-aided …, 2012 - Springer
Integrin αIIbβ3 has emerged as an important therapeutic target for thrombotic vascular
diseases owing to its pivotal role in mediating platelet aggregation through interaction with …

Chemogenomic approach to comprehensive predictions of ligand-target interactions: A comparative study

JB Brown, S Niijima, A Shiraishi… - 2012 IEEE …, 2012 - ieeexplore.ieee.org
Chemogenomics has emerged as an interdisciplinary field that aims to ultimately identify all
possible ligands of all target families in a systematic manner. An ever-increasing need to …

[引用][C] 寿胎丸计算机药理学研究

朱伟, 罗颂平 - 中国实验方剂学杂志, 2012

[引用][C] DE NOVO OPTIMIZATION OF INORGANIC MOLECULES

V Venkatraman - 2012