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1دورية أكاديمية
المؤلفون: Jie Xia, Huabin Hu, Wenjie Xue, Xiang Simon Wang, Song Wu
المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 33, Iss 1, Pp 525-535 (2018)
مصطلحات موضوعية: Histone deacetylase 3, virtual screening, pose filter, in vitro bioassay, novel inhibitors, Therapeutics. Pharmacology, RM1-950
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Huabin Hu, Jie Xia, Dongmei Wang, Xiang Simon Wang, Song Wu
المصدر: International Journal of Molecular Sciences, Vol 18, Iss 1, p 137 (2017)
مصطلحات موضوعية: HDAC3 inhibitors, anti-diabetes, virtual screening, MUBD-HDACs, benchmarking calculation, Biology (General), QH301-705.5, Chemistry, QD1-999
وصف الملف: electronic resource
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3
المؤلفون: Zihao Zhu, Xiang Simon Wang, Tong Qin, Song Wu, Jie Xia
المصدر: Expert Opinion on Drug Discovery. 16:1175-1192
مصطلحات موضوعية: 0303 health sciences, Virtual screening, business.industry, Computer science, Deep learning, Proteins, Pattern recognition, Ligands, Machine Learning, Molecular Docking Simulation, 03 medical and health sciences, Identification (information), 0302 clinical medicine, 030220 oncology & carcinogenesis, Drug Discovery, Humans, Structure based, Artificial intelligence, business, Protein Binding, 030304 developmental biology, Protein ligand
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4
المؤلفون: Liangren Zhang, Xiang Simon Wang, Hongwei Jin, Jie Xia, Zhenming Liu
المصدر: Chemical Biology & Drug Design
مصطلحات موضوعية: CCR2, Receptors, CCR2, Computer science, Computational biology, Ligands, Biochemistry, structure‐based virtual screening, Software, Drug Discovery, Humans, Homology modeling, Research Articles, Pharmacology, Virtual screening, Binding Sites, business.industry, Organic Chemistry, MUBD‐DecoyMaker, Molecular Docking Simulation, Template, normal mode analysis, Mutagenesis, Docking (molecular), Molecular Medicine, ligand‐steered homology modeling, Calcium, flexible docking, business, CC chemokine receptors, Research Article, Protein Binding, Discovery Studio
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5
المؤلفون: Xiang Simon Wang, Jinlong Tian, Jie Xia, Wenjie Xue, Song Wu
المصدر: Bioorganic Chemistry. 86:224-234
مصطلحات موضوعية: Drug, media_common.quotation_subject, Chemical structure, 01 natural sciences, Biochemistry, Chemical synthesis, Structure-Activity Relationship, chemistry.chemical_compound, Drug Discovery, Humans, Potency, Bioassay, Enzyme Inhibitors, Molecular Biology, IC50, media_common, Protein Tyrosine Phosphatase, Non-Receptor Type 1, Dose-Response Relationship, Drug, Molecular Structure, 010405 organic chemistry, Chemistry, Organic Chemistry, Combinatorial chemistry, In vitro, 0104 chemical sciences, Molecular Docking Simulation, 010404 medicinal & biomolecular chemistry, Xanthenes, Biological Assay, Lead compound, hormones, hormone substitutes, and hormone antagonists
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6
المؤلفون: Xing Wang, Hongmin Zhang, Jie Xia, Wenjie Xue, Yuxi Wang, Zhufang Shen, Song Wu, Yi Huan, Zhenyi Wang, Zhenming Liu, Xiang Simon Wang, Liangren Zhang, Jui-Hua Hsieh
المصدر: Journal of chemical information and modeling. 60(3)
مصطلحات موضوعية: General Chemical Engineering, Receptors, Cytoplasmic and Nuclear, Computational biology, Library and Information Sciences, Ligands, 01 natural sciences, Chemical library, Machine Learning, chemistry.chemical_compound, Mice, Docking (dog), 0103 physical sciences, Animals, Virtual screening, 010304 chemical physics, Drug discovery, Obeticholic acid, General Chemistry, Ligand (biochemistry), 0104 chemical sciences, Computer Science Applications, Mice, Inbred C57BL, 010404 medicinal & biomolecular chemistry, chemistry, Liver, Farnesoid X receptor, Lead compound
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7
المؤلفون: Song Wu, Xiang Simon Wang, Jui-Hua Hsieh, Huabin Hu, Jie Xia
المصدر: Journal of Chemical Information and Modeling. 57:1414-1425
مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, Computer science, Interface (Java), General Chemical Engineering, Drug Evaluation, Preclinical, Library and Information Sciences, Ligands, computer.software_genre, Article, Set (abstract data type), User-Computer Interface, 03 medical and health sciences, Virtual screening, Ensemble forecasting, Drug discovery, General Chemistry, Computer Science Applications, Molecular Docking Simulation, Data set, Benchmarking, Identification (information), 030104 developmental biology, Filter (video), Data mining, computer
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8
المؤلفون: Yu Ding, Shan Li, Jie Xia, Song Wu, Xiang Simon Wang
المصدر: Molecular Informatics. 39:1900151
مصطلحات موضوعية: Databases, Pharmaceutical, Computer science, Drug Evaluation, Preclinical, Datasets as Topic, Prospective data, Machine learning, computer.software_genre, 01 natural sciences, User-Computer Interface, 03 medical and health sciences, Structural Biology, Drug Discovery, 030304 developmental biology, computer.programming_language, 0303 health sciences, Virtual screening, business.industry, Organic Chemistry, Benchmarking, Python (programming language), 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Pharmaceutical Preparations, Molecular Medicine, Programming Languages, Artificial intelligence, business, computer, Algorithms
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9
المؤلفون: Song Wu, Jie Xia, Xiang Simon Wang, Liangren Zhang, Terry-Elinor Reid
مصطلحات موضوعية: 0301 basic medicine, General Chemical Engineering, Druggability, HIV Entry Inhibitors, Computational biology, Library and Information Sciences, Ligands, 01 natural sciences, Article, 03 medical and health sciences, Chemokine receptor, Drug Discovery, Humans, Databases, Protein, Virtual screening, Extramural, Drug discovery, General Chemistry, Benchmarking, 0104 chemical sciences, Computer Science Applications, Data set, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Receptors, Chemokine
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b6dcc7f88afb8edff060b71f94cebfa
https://europepmc.org/articles/PMC6197807/ -
10
المؤلفون: Pei Zhan, Xiang Simon Wang, Yingji Wu, Jianbo Tong
المصدر: Journal of chemometrics. 31(12)
مصطلحات موضوعية: 0301 basic medicine, chemistry.chemical_classification, biology, 010405 organic chemistry, Chemistry, Stereochemistry, Applied Mathematics, Carboxylic acid, External validation, Active site, 01 natural sciences, Article, 0104 chemical sciences, Analytical Chemistry, Integrase, 03 medical and health sciences, Inhibitory potency, 030104 developmental biology, Docking (molecular), Hiv 1 integrase, biology.protein