QSAR & Combinatorial Science,24(2), 240-253. doi: 10.1002/qsar.200430893da Cunha, E. F. F.; Albuquerque, M. G.; Antunes, O. A. C.; Alen- castro, R. B. 4D-QSAR Models of HOE/BAY-793 Analogues as HIV-1 Protease Inhibitors. QSAR Comb. Sci., 2005, 24, 240-253. Quantitative...
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
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...
As a proof of concept, for the first time, receptor dependent 鈥 4D Quantitative Structure Activity Relationship (RD-4D-QSAR) has been implemented to predict kinetic properties of an enzyme. The novelty of this study is that the mutated enzymes also form a part of the training data set. ...
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 ...
J. 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, 1141-1150. (b) Hopfinger A. J.; Reaka, A.; Venkatarangan, P.; Duca, J. S.; Wang, S....
ChemInform Abstract: 4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling. Ravi, M.; Hopfinger, A. J.; Hormann, R. E.; Dinan, L. 4D- QSAR analysis of a set of ecdysteroids and a comparison to CoMFA modeling. J. ... M Ravi,AJ Hopfinger,RE Hormann,.....
A web-based application is developed to generate 4D-QSAR descriptors using the LQTA-QSAR methodology, based on molecular dynamics (MD) trajectories and topology information retrieved from the GROMACS package. The LQTAGrid module calculates the intermolecular interaction energies at each grid point, con...
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2023. "In Silico 3D/4D QSAR Prediction of 5-O-Caffeoylquinic Acid, Cyanidin-3-O-Galactoside Chloride and L-Epicatechin Anti-Inflammatory Activity, Cytotoxicity and Metabolism" Proceedings 91, no. 1: 246. https://doi.org/10.3390/proceedings2023091246 APA Style Kiselova-Kaneva, Y., Potoroko,...