药物分子优化设计的网格计算方法研究

10772042
2007
A1002.多尺度力学生物学
王希诚
面上项目
教授
大连理工大学
36万元
诱导契合;网格计算;优化设计;药物分子;虚拟筛选
2008-01-01到2010-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
查看更多信息请先登录或注册
查看更多信息请先登录或注册
查看更多信息请先登录或注册
重置
序号 标题 类型 作者
1 An effective docking strategy for virtual screening based onmulti-objective optimization algorithm 期刊论文
2 一种改进的多种群遗传算法 期刊论文
3 钙调蛋白构象变化路径 期刊论文
4 Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods 期刊论文
5 一种精细药物分子对接模型和优化方法 期刊论文
6 A force fields-based multi-scale molecular docking method 会议论文
7 Bridging the gap between molecular descriptors and mechanism: Cases studiesby molecular dynamics simulations 期刊论文
8 Optimizing Energy Potential for Protein FoldRecognition with Parametric Evaluation Function 期刊论文
9 A multiplex generalized expected improvement sample Criterion for global optimization 会议论文
10 A steered molecular dynamics method with adaptive direction adjustments 期刊论文
11 Electric and mechanical response of uncouplers in model biomemberane 会议论文
12 多学科优化中的黑箱方法 会议论文
13 Optimization design of cardiovascular stent 会议论文
14 A simple Ca-SC potential with higher accuracy for protein fold recognition 期刊论文
15 Finding molecular dioxygen tunnels in homoprotocatechuate 2,3-dioxygenase: implications for different reactivity of identical subunits 期刊论文
16 Mechanism analysis of viral inhibition for stilbene derivatives based on targeted action 会议论文
17 Locally Enhanced Sampling Study of Dioxygen Diffusion Pathways in Homoprotocatechuate2,3-Dioxygenase 期刊论文
18 An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA 期刊论文
19 一种采用知识打分函数的分子对接方法 期刊论文
20 一种考虑蛋白质柔性的分子对接方法 期刊论文
21 Identification of Ligand-Binding Pockets in Proteins Using Residue Preference Methods 期刊论文
22 A steered molecular dynamics method with direction optimization and itsapplications on ligand molecule dissociation 期刊论文
23 A novel conformation optimization model and algorithm for structure-based drug design 期刊论文
24 A simulation of hemodynamics and interaction between blood and vessel in stented artery 会议论文
25 A parallel global optimization method based on black-box functions 会议论文
26 一种基于路径优化的非平衡自由能预测方法 期刊论文
27 氮杂茋衍生物靶向虚拟筛选研究 期刊论文
28 A steered molecular dynamics method with direction optimization and itsapplications on ligand molecule dissociation 期刊论文
29 Optimizing Energy Potential for Protein FoldRecognition with Parametric Evaluation Function 期刊论文
查看更多信息请先登录或注册

相关项目

趋势报告

经验分享