百度试题 题目4D-QSAR是在3D-QSAR的基础上,将影响空间作用的所有因素,如 相关知识点: 试题来源: 解析 分子全部可能的构象空间取向分子的质子化状态环境因素 反馈 收藏
B. 4D-QSAR Models of HOE/BAY-793 Analogues as HIV-1 Protease Inhibitors. QSAR Comb. Sci., 2005, 24, 240-253. Quantitative Structure-Property Relationships. J. Chem .Inf. Com- put. Sci., 1994, 34, 854-866.da Cunha, E. F. F., Albuquerque, M. G., Antunes, O. A. C., & ...
网络释义 1. 四维定量构效关系 ...inase inhibitors),本论文即是利用四维定量构效关系(4D-QSAR)法分析TW01类似物与四个人类癌症细胞株MDA-MB-231、P…ntur.lib.ntu.edu.tw|基于1 个网页 2. 四维定量构效关系方法 1.1.3.3 四维定量构效关系方法(4D-QSAR)23-26 cdmd.cnki.com.cn|基于1 个网页...
Prediction of ligand-receptor binding free energy by 4D-QSAR analysis: application to a set of glucose analogue inhibitors of glycogen phosphorylase. J Chem Inf Comput Sci, 1999, 39: 1141-1150Venkatarangan P, Hopfinger AJ. Prediction of ligand-receptor binding thermodynamics by free energy force ...
有谁知道4DQSAR用什么软件，国内现在有研究出这方面的科研成果吗 @崇明先生 发自小木虫IOS客户端 ...
The correlation coefficients of the optimum 4D-QSAR models (R2 = 0.87 and 0.88) are nearly the same as those of the best CoMFA model (R2 = 0.92) determined for the same training set. However, the cross-validation correlation coefficient of the CoMFA model is less significant (Q2 = 0.59)...
3D-QSARMolecular dynamic simulationCB2 inverse agonistsOver the years QSAR methods have developed from 2D-QSAR to more complex 4D-QSAR which features freedom of alignment and conformational flexibility of individual ligands. This approach takes advantage......
4D-QSAR analysis incorporates conformational and alignment freedom into the development of 3D-QSAR models for training sets of structureactivity data by performing ensemble averaging, the fourth "dimension". The descriptors in 4D-QSAR analysis are the grid cell (spatial) occupancy measures of the atom...
刷刷题APP(shuashuati.com)是专业的大学生刷题搜题拍题答疑工具,刷刷题提供4D-QSAR与5维、6维定量构效关系的区别在于其没有考虑:的答案解析,刷刷题为用户提供专业的考试题库练习。一分钟将考试题Word文档/Excel文档/PDF文档转化为在线题库,制作自己的电子错题本,提高学
4D-QSAR analysis incorporates conformational and alignment freedom into the development of 3D-QSAR models for training sets of structureactivity data by performing ensemble averaging, the fourth "dimension". The descriptors in 4D-QSAR analysis are the grid cell (spatial) occupancy measures of the atom...