Computer Aided Drug Design

Instructor: Dongqing Wei, Qin Xu

Office: Life Science Building, 4-321 & 4-221

Lecture: Mondays 8:00-9:40 and Wednesday 10:00-11:40 East-upper Building 106

Lectures

• Lecture1, Introduction of Computer Aided Drug Design.
• Lecture2, Sequence analysis & Secondary protein structural prediction.
• Lecture3, Tertiary protein structure prediction.
• Lecture4, Tertiary protein structure prediction & Model evaluations.
• Lecture5, Structural / functional databases of proteins.
• Lecture6, Molecular simulations.
• Readings: Basic concepts of Molecular Simulations.
• Lecture7, Molecular Docking.
• Lecture8, Quantitative Structure-Activity Relationships (QSAR).
• Lecture9,Pharmacophore.
• Lecture10,Structure based Drug Design.
• Lecture11,De novo Drug Design.
• Lecture12,Combinatorial library.