1.
Strategy of molecular drug design: dual-target drug design
药物分子设计的策略:双靶标药物设计
2.
A Methodological Study of De Novo Drug Design;
计算机辅助全新药物分子设计方法研究
3.
Study on the Chemical Data Mining Technologies and Their Applications in Drug Design;
化学数据挖掘技术与药物分子设计应用
4.
Molecular Dynamics Simulations and Free Energy Calculations for Drug Design;
分子动力学模拟与自由能计算在药物分子设计中的应用
5.
Quantum Chemical Studies on Solvent Effects and Their Applications in Drug Design;
药物分子设计中溶剂效应的量子化学研究及应用
6.
AIM: To construct 3D QSAR models of drugs passing through the blood brain barrier (BBB), that provide a theoretical basis for molecular drug design.
目的：建立药物透过血脑屏障的三维构效模型，为药物分子设计提供理论依据。
7.
Design and Synthesis of Matrix Metalloproteinases-2,9 Inhibitors Based on Computer-Aided Drug Design;
以基质金属蛋白酶-2，9为靶点的计算机辅助药物分子设计、合成及初步活性研究
8.
Structure-based drug molecule design and organic synthesis; Chemical biology.
药物小分子合成；计算机辅助药物设计；化学生物学.
9.
Design, Synthesis and Property Study of Dendrimer as Drug Deliver Agent;
树状高分子药物载体的分子设计与性质研究
10.
Drug molecular docking design using a modified genetic algorithm based on information theory;
基于信息论遗传算法药物分子对接设计
11.
Study on the Algorithm and Software of Molecular Docking Optimization in Computer-Aided Drug Design;
药物设计中分子对接优化设计的算法和软件研究
12.
Design, Preparation and Bioactivity Analysis of the New Proteins Modified from Human Brain Natriuretic Peptide (hBNP)
重组人脑钠肽（rhBNP）新药物分子的设计、制备及生物活性分析
13.
Design and Synthesis of Small Antitumor Agents Acting on the Colchicine Site of β-Tubulin;
基于微管蛋白小分子抗肿瘤药物的设计与合成研究
14.
Molecular mechanisms of miRNA and their application to drug research
微小核糖核酸的分子机制及其在药物设计中的应用
15.
QSAR and Its Application in Molecular Design of Novel Pesticides;
QSAR及其在新型农药分子设计中的应用
16.
Western Healers in Traditional Chinese Medicine and Implications for Finding Combinatorial Drugs;
中药中的西药成分分析及其对组合药物设计的指导意义
17.
The Design of Novel Molecular Probes and Their Applications in Real Time Assays for Methylase & Restriction Endonuclease and Drug-screening;
新型分子探针的设计及其在甲基化酶和限制性内切酶实时分析及药物筛选中的应用
18.
Drug Design in the Fast Lane
药物设计走上快车道