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Identification and Structure-Activity Studies of 1,3-Dibenzyl-2-aryl imidazolidines as Novel Hsp90 Inhibitors 期刊论文
MOLECULES, 2019, 卷号: 24
作者:  Liu, Yajun;  Liu, Xiaoxia;  Li, Lihong;  Dai, Rui;  Shi, Meiyun
收藏  |  浏览/下载：26/0  |  提交时间：2019/12/02
Rational Design of a Long-Wavelength Fluorescent Probe for Highly Selective Sensing of Carboxylesterase 1 in Living Systems 期刊论文
ANALYTICAL CHEMISTRY, 2019, 卷号: 91, 页码: 5638-5645
作者:  Tian, Zhenhao;  Ding, Lele;  Li, Kun;  Song, Yunqin;  Dou, Tongyi
收藏  |  浏览/下载：90/0  |  提交时间：2019/12/02
Structure-Based Virtual Screening, Compound Synthesis, and Bioassay for the Design of Chitinase Inhibitors 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2018, 卷号: 66, 页码: 3351-3357
作者:  Dong, Yawen;  Jiang, Xi;  Liu, Tian;  Ling, Yun;  Yang, Qing
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/02
SABRE: Ligand/Structure-Based Virtual Screening Approach Using Consensus Molecular-Shape Pattern Recognition 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 页码: 338-346
作者:  Wei, Ning-Ning;  Hamza, Adel
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/09
Active compounds  Binding pockets  Chemical similarity  Linear combinations  Molecular shapes  Receptor binding site  Structural diversity  Virtual Screening, Algorithms  Binding sites  Data fusion  Ligands  Molecules  Pattern recognition, Three dimensional, ligand  protein, algorithm  automated pattern recognition  binding site  biology  chemical database  chemical structure  chemical structure  chemistry  computer interface  computer program  drug database  drug development  drug screening  human  metabolism  procedures  statistics and numerical data  validation study, Algorithms  Binding Sites  Computational Biology  Databases, Chemical  Databases, Pharmaceutical  Drug Discovery  Drug Evaluation, Preclinical  Humans  Ligands  Models, Molecular  Molecular Structure  Pattern Recognition, Automated  Proteins  Software  User-Computer Interface  
Binding affinity and efficacy-based pharmacophore modeling studies of retinoic acid receptor alpha agonists and virtual screening for potential agonists from NCI 期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 页码: 3916-3926
作者:  Li, Zhen;  Li, Yuqing;  Cao, Zhi;  Gu, Junfeng;  Liu, Kunji
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/09
A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2013, 卷号: 31, 页码: 1236-1250
作者:  Hamza, Adel;  Wei, Ning-Ning;  Hao, Ce;  Xiu, Zhilong;  Zhan, Chang-Guo
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/11
Identification of Putative Molecular Imaging Probes for BACE-1 by Accounting for Protein Flexibility in Virtual Screening 期刊论文
JOURNAL OF ALZHEIMERS DISEASE, 2012, 卷号: 29, 页码: 351-359
作者:  Lang, Haijing;  Huang, Xudong;  Yang, Yongliang
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/13
Identification of Novel Potential beta-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2012, 卷号: 13, 页码: 4545-4563
作者:  Liu, Jianling;  Liu, Mengmeng;  Yao, Yao;  Wang, Jinan;  Li, Yan
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/13
Discovery of novel selective inhibitors for EGFR-T790M/L858R 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2012, 卷号: 22, 页码: 1365-1370
作者:  Bai, Fang;  Liu, Hongyan;  Tong, Linjiang;  Zhou, Wei;  Liu, Li
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/13
Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts 期刊论文
EXPERT OPINION ON DRUG DISCOVERY, 2010, 卷号: 5, 页码: 21-31
作者:  Xu, Xue;  Yang, Wei;  Li, Yan;  Wang, Yonghua
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/24

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