机构

• 上海药物研究所 [9]
• 大连化学物理研究所 [3]
• 生态环境研究中心 [3]
• 化学研究所 [2]
• 长春应用化学研究所 [2]
• 成都生物研究所 [1]
• 更多

采集方式

• OAI收割 [23]
• iSwitch采集 [1]

内容类型

• 期刊论文 [23]
• 学位论文 [1]

发表日期

• 2023 [1]
• 2022 [1]
• 2021 [1]
• 2020 [1]
• 2018 [1]
• 2017 [1]
• 更多

学科主题

• Biochemist... [2]
• Biotechnol... [2]
• Chemistry [2]
• Mathematic... [2]
• Agricultur... [1]
• Mathematic... [1]
• 更多

筛选

浏览/检索结果: 共24条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 164, 页码: 8 作者:  Shi, Yulong;  Zhang, Xinben;  Yang, Yanqing;  Cai, Tingting;  Peng, Cheng   |  收藏  |  浏览/下载：39/0  |  提交时间：2023/10/17 Target prediction  Virtual screening  Molecular docking  Ligand similarity search  Deep learning   Evaluation of the binding performance of flavonoids to estrogen receptor alpha by Autodock, Autodock Vina and Surflex-Dock 期刊论文  OAI收割 ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2022, 卷号: 233, 期号: 0, 页码: 113323 作者:  Xue, Qiao;  Liu, Xian;  Russell, Paul;  Li, Jin;  Pan, Wenxiao   |  收藏  |  浏览/下载：21/0  |  提交时间：2022/11/08 PROTEIN-LIGAND DOCKING  MOLECULAR DOCKING  DISCOVERY  FRAMEWORK  DYNAMICS  AFFINITY   FPR2-based anti-inflammatory and anti-lipogenesis activities of novel meroterpenoid dimers from Ganoderma 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2021, 卷号: 116, 页码: 105338 作者:  Peng,Xing-Rong;  Wang,Qian;  Wang,Hui-Rong;  Hu,Kun;  Xiong,Wen-Yong   |  收藏  |  浏览/下载：35/0  |  提交时间：2022/04/02 Ganoderma applanatum  Meroterpenoid dimers  Molecular docking  Anti-lipogenesis  FPR2-based inflammation  INDUCED INSULIN-RESISTANCE  ADIPOCYTE DIFFERENTIATION  OBESITY  INFLAMMATION  DEFICIENCY  MACROPHAGES  ACTIVATION  EXPRESSION  LIGAND  MICE   Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods 期刊论文  OAI收割 JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES, 2020, 卷号: 83, 期号: 1, 页码: 1-8 作者:  Wang, P (Wang, Pu)[ 1 ];  Zhang, R (Zhang, Rui)[ 2,3 ];  Yu, SB (Yu, Shunbang)[ 1 ];  Lee, C (Lee, Charles)[ 4 ];  Wang, H (Wang, He)[ 1 ]   |  收藏  |  浏览/下载：31/0  |  提交时间：2020/03/16 Homology modeling  ligand docking  binding sites  olfactory receptor  lyral   Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7 作者:  Yuan, Xiaojing;  Xu, Yechun   |  收藏  |  浏览/下载：29/0  |  提交时间：2019/01/08 GPCR  receptor-ligand recognition  drug design  molecular modeling  molecular dynamics  docking  binding affinity  binding pathway   Structure-Based Investigation on the Binding and Activation of Typical Pesticides With Thyroid Receptor 期刊论文  OAI收割 TOXICOLOGICAL SCIENCES, 2017, 卷号: 160, 期号: 2, 页码: 205-216 作者:  Xiang, Dandan;  Han, Jian;  Yao, Tingting;  Wang, Qiangwei;  Zhou, Bingsheng   |  收藏  |  浏览/下载：39/0  |  提交时间：2019/07/03 pesticides  thyroid receptor  ligand binding assay  surface plasmon resonance  molecular docking   Discovery and structural optimization of 4-(4-(benzyloxy) phenyl)-3,4-dihydropyrimidin-2(1H)-ones as RORc inverse agonists 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2016, 卷号: 37, 期号: 11, 页码: 1516 作者:  Wu Xishan;  Wang Rui;  Xing Yanli;  Xue Xiaoqian;  Zhang Yan   |  收藏  |  浏览/下载：95/0  |  提交时间：2020/12/24 GAMMA-T  ORPHAN RECEPTORS  CELL-DIFFERENTIATION  LIGAND  IDENTIFICATION  MODULATORS  DERIVATIVES  PROTEIN  INHIBITORS  DOCKING  nuclear receptor  RORc  inverse agonist  SAR  structure-based optimization  autoimmune disease   Structure-dependent binding and activation of perfluorinated compounds on human peroxisome proliferator-activated receptor gamma 期刊论文  OAI收割 TOXICOLOGY AND APPLIED PHARMACOLOGY, 2014, 卷号: 279, 期号: 3, 页码: 275-283 Zhang, Lianying; Ren, Xiao-Min; Wan, Bin; Guo, Liang-Hong 收藏  |  浏览/下载：34/0  |  提交时间：2015/03/24 PAR gamma  Perfluorinated compounds  Ligand binding assay  Activation potency  Molecular docking  Structure-dependent   Lipase Ligands in Nelumbo nucifera Leaves and Study of Their Binding Mechanism 期刊论文  OAI收割 JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2014, 卷号: 62, 期号: 44, 页码: 10679-10686 Zhu, Yuan-Ting; Jia, Yan-Wei; Liu, Yi-Ming; Liang, Jian; Ding, Li-Sheng; Liao, Xun 收藏  |  浏览/下载：115/0  |  提交时间：2016/01/07 Nelumbo nucifera leaves  ligand fishing  lipase inhibitors  fluorescence quenching  molecular docking   3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation 期刊论文  OAI收割 bioorganic & medicinal chemistry letters, 2013, 卷号: 23, 期号: 16, 页码: 4617-4621 作者:  Li, Xiao-Yan;  He, Bi-Feng;  Luo, Hua-Jun;  Huang, Nian-Yu;  Deng, Wei-Qiao 收藏  |  浏览/下载：40/0  |  提交时间：2014/09/11 3-Acyl-5-hydroxybenzofuran  Breast cancer  Estrogen receptor alpha (ER alpha)  Quantum Mechanics Polarized Ligand Docking (QPLD)