Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《PROGRESS IN CHEMISTRY》 1998-04
Add to Favorite Get Latest Update

Three Dimensional Structure Searching in Drug Design

Wang Ting Zhou Jiaju (Laboratory of Computer Chemistry , Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080, China)  
Three dimensional(3D) searching in a database of molecules based on their 3D characteristics has become a fast and effecive approach to discover leading compounds. This review describes its principle, development and applications in drug design.
【CateGory Index】: TQ460.1
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【References】
Chinese Journal Full-text Database 5 Hits
1 LU Tian CHEN Fei-Wu (School of Chemical and Biological Engineering,University of Science and Technology Beijing,Beijing 100083,P.R.China);Comparison of Computational Methods for Atomic Charges[J];物理化学学报;2012-01
2 Huang Guowei~1,Yu Haibing~2,Liu Xiaoxing~1,Peng HongHai~1,Zhou HongHua~1(1.The Life Science Department of Post-graduate college,Nanchang University,Nanchang 470029;2 Anhui Science and Technology College,Bangpu 233000);The application of bioinformatics in drug development[J];天津药学;2006-02
3 Zhang Yanling, Wang Yun and Qiao Yanjiang ( School of Chinese Materia Medica, Beijing University of Traditional Chinese Medicine and Materia Medica, Beijing 100102);Construction and Application of Pharmacodynamic Aggregations in Study of Chinese Medicines and Natural Products[J];世界科学技术;2004-04
4 FANG Hao 1,2 LU Jing fen 2 XIA Lin 1 ZHANG Li he 1 1(Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009) 2(National Research Laboratories of Natural and Biomimetic Drugs, Beijing Medical Universi;Biophore Development for Prostate selective α_1-adrenoceptor Antagonist[J];计算机与应用化学;2000-05
5 ZHOU Jia\|Ju\ XIE Gui\|Rong\ YAN Xin\|Jian\ HE Xian\|Feng\ TANG Wu\|Cheng (Laboratory of Computer Chemistry,Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080);PROGRESS OF MOLECULAR MODELING IN LCC(1986-1999)[J];计算机与应用化学;1999-06
【Citations】
Chinese Journal Full-text Database 1 Hits
1 WANG Ting ZHOU Jia-ju (Laboratory of Computer Chemistry, Institute of Chemical Metallurgy, Chinese Academy of Sciences}, Beijing, 100080);COMPARISION OF GENETIC ALGORITHM AND POWELL METHOD FOR COMFORMATIONALLY FLEXIBLE SEARCHING[J];计算机与应用化学;1998-04
【Co-citations】
Chinese Journal Full-text Database 3 Hits
1 ZENG Ying, LIN Jin-Qing, LI Hao-Ran, HAN Shi-Jun (1 .College of Chemical Engineering, Huaqiao University, Quanzhou, 362011, Fujian, China; 2.Chemistry Department, Zhejiang University, Hanzhou, 310027, Zhejiang, China);Parameter estimation for thermodynamic model of solution by using of genetic algorithm[J];计算机与应用化学;2003-Z1
2 ZHOU Jia\|Ju\ XIE Gui\|Rong\ YAN Xin\|Jian\ HE Xian\|Feng\ TANG Wu\|Cheng (Laboratory of Computer Chemistry,Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080);PROGRESS OF MOLECULAR MODELING IN LCC(1986-1999)[J];计算机与应用化学;1999-06
3 Wang Ting Zhou Jiaju (Laboratory of Computer Chemistry , Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080, China);Three Dimensional Structure Searching in Drug Design[J];化学进展;1998-04
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 SHEN Tao1 DU Feng-Pei1 LIU Ting1 YAO Guang-Wei1 WU Zheng1 FANG Meng-Meng1 XU Xiao-Jie2 LU Hui-Zhe1,*(1Institute of Science and Technology,China Agricultural University,Beijing 100193,P.R.China;2Institute of Chemistry and Molecular Engineering,Peking University,Beijing 100871,P.R.China);Molecular Simulation of the Interaction between Imidazole Glycerol Phosphate Dehydrase and Nitrogen-Containing Heterocyclic Phosphate Inhibitors[J];物理化学学报;2011-08
2 ZHENG Wen-Rui XU Jing-Li XIONG Rui(College of Chemistry and Chemical Engineering,Shanghai University of Engineering Science,Shanghai 201620,P.R.China);Density Functional Theory Study on N—O Bond Dissociation Enthalpies[J];物理化学学报;2010-09
3 DING Yuan-Fa1 ZHANG Yue1 ZHANG Da-Hai2 LI Zhong-Ping2(1Key Laboratory of Aerospace Materials and Performance(Ministry of Education),School of Materials Science and Engineering,Beihang University,Beijing 100191,P.R.China;2National Key Laboratory of Advanced Functional Composite Materials Technology,Aerospace Research Institute of Materials and Processing Technology,Beijing 100076,P.R.China);Atomic Charge Transfer and Ensemble Selection in Molecular Dynamics Simulation of Vitreous Silica[J];物理化学学报;2010-06
4 QIAN Bao-Hua1 MA Wei-Xing1 LU Lu-De2,YANG Xu-Jie2 WANG Xin2 (1School of Chemical Technology,Huaihai Institute of Technology,Lianyungang 222005,Jiangsu Province,P.R.China;2School of Chemical Technology,Nanjing University of Science & Technology,Nanjing 210094,P.R.China);Synthesis,Characterization,Crystal Structure and Quantum Chemistry Calculation of an Arenedisulfonate Bridged Zn(II) Coordination Polymer[J];物理化学学报;2010-03
5 LI Shao-yong, SUN Ming, WEN Xin, LI Ai-xiu, QU Na, MIAO Fang-ming (Institute of Crystallography, Tianjin Normal University, Tianjin 300074, China);Constructing the Pharmacophore Models of Tyrosinase Inhibitors by DISCO Method[J];计算机与应用化学;2002-03
6 DING Xiao-qin, YANG Ju-hui, ZHAO Li-feng, SHAO Hua-zhou, LUO Qing-chong ( Beiging Institute of Pharmaceutical Chemistry , Beijing 102205, China);Pharmacophore Model Analysis of Medetomidine and its Analogs[J];计算机与应用化学;2002-Z1
7 ZHAO Li qin 1, YUAN Yue 2, HU Yuan dong 2, ZHANG Tao 2, ZHANG Shou fang 1, LI Song 2 (1. Shenyang Pharmaceutical University, Shenyang 110015, China; 2. Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 1;3D-QSAR OF ANTIINFLAMMATORY ACTIVITIES OF-5,6-DIARYL-2,3-DIHYDRO-1-PYRROLIZINONE DERIVATIVES[J];药学学报;2001-05
8 FANG Hao 1,2 LU Jing fen 2 XIA Lin 1 ZHANG Li he 1 1(Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009) 2(National Research Laboratories of Natural and Biomimetic Drugs, Beijing Medical Universi;Biophore Development for Prostate selective α_1-adrenoceptor Antagonist[J];计算机与应用化学;2000-05
9 ZHOU Wei\|hong WEN Xin LIU Xiao\|lan MIAO Fang\|ming (The Institute of Chemical Crystallography, Tianjin Normal University, Tianjin 300074);The Pharmocophore Determination of Octopamine Insecticides[J];计算机与应用化学;2000-04
10 Hou Tingjun Wu Zengru Liao Ning Li Zheng Luo Hongpeng Wang Jiaquan Xu Xiaojie(Department of Chemistry,Beida Jiuyuan Molecular Design Laboratory,Peking University,Beijing 100871);Pharmacophore Model and 3D-QSAR Study of Two Kinds of HCV NS3 Serine Protease Inhibitors[J];物理化学学报;2000-03
【Secondary References】
Chinese Journal Full-text Database 10 Hits
1 LU Tian;CHEN Qinxue;Beijing Kein Research Center for Natural Sciences;;Revealing Molecular Electronic Structure via Analysis of Valence Electron Density[J];物理化学学报;2018-05
2 DULI Xiao-song;LIU Yu-cun;CHENG Gui-min;JING Su-ming;LUO Jin;WANG Meng-xia;School of Environment and Safety Engineering,North University of China;;Molecular Design and Performance Study of Isofurazano Carriers for Melt-castable Explosives[J];兵工学报;2018-01
3 GUO Qin;ZU Guoping;WANG Yali;ZHAO Xingfu;SHI Yuzhong;The Second Affiliated Hospital of Xinxiang Medical University;The Mental Health Center of Henan Province;Wuxi Mental Health Center Affiliated to Nanjing Medical University;;Spectral Properties and Pharmaceutical Activity of Olanzapine and Clozapine Based on Density Functional Theory[J];河南科学;2017-11
4 WU Shu-man;HONG Qin;PENG Zi-zhen;WU Lin-gang;WANG Yu-na;PU Ya-min;HU Jun-yi;ZHONG Ai-guo;School of Medicine and Chemical Engineering, Taizhou University;;Prediction of the Solubility and Molecular Spectra of New Antidiabetic Drug Dapagliflozin and Its Derivatives by Density Functional Theory and Electrostatic Potential Charge[J];当代化工;2017-12
5 ZHU Yuan-qiang;JING Ya;LIU Yu-shuang;WANG Hu;TANG Jun-lei;School of Chemistry and Chemical Engineering, Southwest Petroleum University;CNPC Drilling Research Institute;School of Material Science and Engineering, Southwest Petroleum University;;Corrosion Inhibition Performance of Linear Mercaptoalchol Compounds[J];材料保护;2017-11
6 SUN Ting-Ting;HUANG Ju;HE Wei-Ping;WANG De-Tang;School of Chemical Engineering,Xuzhou College of Industrial Technology;School of Chemistry & Chemical Engineering,Xuzhou Institute of Technology;Jiangsu Province Engineering Technology Research and Development Center of New Chemical Materials,Xuzhou College of Industrial Technology;;Density functional study of norfloxacin[J];四川大学学报(自然科学版);2017-05
7 ZHANG Li-juan;;Prediction of Corrosion Inhibition Efficiency of Multi Substituted Aniline Resist Agent Based on Density Functional Theory[J];混凝土与水泥制品;2017-09
8 ZHENG Tian-Long;ZUO Xiang-Hua;Long Hua Middle School;Fuyuan School in Baoan District;;Experimental and Theoretical Study on Sulfur Dioxide Making Fuchsin Fade[J];化学教育;2017-09
9 WANG Yiwei;GUO Jianmin;CAI Wanfei;School of Basic Medicine,Southwest Medical University;College of Chemistry and Materials Science,Sichuan Normal University;;Quantum Chemical Study on the Adsorption of Methanol over Pt-Cr-Cu(111) Surface[J];四川师范大学学报(自然科学版);2017-01
10 ZHANG Le;LI Qiang;ZHAO Yue;QIN Yu-cai;GAO Xiong-hou;SONG Li-juan;College of Chemical Engineering,China University of Petroleum(East China);Liaoning Key Laboratory of Petrochemical Catalytic Science and Technology,Liaoning Shihua University;Research Institute of Petroleum Processing,SINOPEC;;Effect of Ce ion on adsorption and diffusion behavior of benzene in Y zeolite[J];燃料化学学报;2017-01
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved