| Name: |
Applications of Computational Chemistry in Drug Discovery and Materials Science |
| Catalog Number: |
416009Y |
Hours/Credits: |
14/1 |
| Prerequisite(s): |
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Chemical physics; basic knowledge of molecular modeling principles and applications |
| Course Description: |
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This seminar series invites active computational chemists to introduce the research fields related to their own principal research interests. The contents of the seminars cover the following aspects:
The often-used methods in rational drug design, their applications in drug discovery, and current development.
Discovery and confirmation of new drug targets, system biology-based drug design, and the strategies to develop safe and effective new drugs.
Recent development of theoretical models and computational methods in studying the charge mobility of organic semiconductors and carbon-based materials.
Quantum dissipation dynamics and its applications to chemical kinetics.
Computational design of sp2 carbon-based nano-structures and their applications in developing carbon nanomaterials. |
| Course Content: |
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Topic 1: History, current situation and challenges in drug discovery
Speaker: Professor Zongru Guo, Beijing institute of materia medica,CAS
Topic 2: Modeling and simulation strategies for innovation drug design
Speaker: Professor Kaixian Chen, Shanghai institute of materia medica, CAS
Topic 3: Theoretical predictions of the charge mobility of organic and carbon-based materials
Speaker: Professor Zhigang Shuai, Tsinghua University
Topic 4: Theoretical study of the quantum dynamics in complex molecular systems
Speaker: Professor Qiang Shi, Institute of chemistry, CAS.
Topic 5: Structural model of the sp2 carbon nano-structure and their applications in developing new materials
Speaker: ProfessorXingfa Gao, Institutes of high energy physics, CAS
Topic 6
Speaker: Professor Tingjun Hou Soochow university
Time: 10:00AM-11.40AM, July 2/2012
Topic 7: From molecular structure-based to system biology-based drug design
Speaker: Luhua Lai, Peking university |
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