报告题目：“Computer Aided Drug Design (CADD) targeting Virus, cancers and signal transduction pathways”

Abstract: Homology modeling, molecular docking and molecular dynamics (MD) simulations are powerful computational tools to gain insights on how drugs work and thus enable us to do rational drug design. Using these computational tools, a large number of CADD projects have been carried out in my labs. In this talk, several examples will be discussed: 1). Developing novel anti-virus drug against herpes simplex virus type I (HSV-1) entry using virtual screening. 2). Probing the binding of anticancer ligands to DNA/RNA G-quadruples using all-atom free ligand binding MD simulations. 3.) Probing the activation mechanism GPCR (Adreno- Dopamine-, Opioid- etc.) receptors using MD simulations with explicit membrane.

报  告  人 ：Chun Wu，

美国罗文大学化学与生物化学系 终身副教授  

北京计算科学研究中心 客座教授

讲座时间：7月23日 上午10:0
讲座地点：药学院 426学术报告厅
邀  请  人 ：刘文  教授