机构

• 上海药物研究所 [13]
• 长春应用化学研究所 [6]
• 化学研究所 [3]
• 金属研究所 [1]
• 福建物质结构研究所 [1]
• 成都生物研究所 [1]
• 更多

采集方式

• OAI收割 [26]
• iSwitch采集 [1]

内容类型

• 期刊论文 [27]

发表日期

• 2024 [1]
• 2017 [1]
• 2015 [4]
• 2014 [1]
• 2013 [5]
• 2012 [2]
• 更多

学科主题

• Pharmacolo... [2]
• Biochemist... [1]
• Biotechnol... [1]
• Chemistry [1]
• Mathematic... [1]

筛选

浏览/检索结果: 共27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 Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures 期刊论文  OAI收割 IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 8191-8208 作者:  Yang, Ziduo;  Zhong, Weihe;  Lv, Qiujie;  Dong, Tiejun;  Chen, Guanxing   |  收藏  |  浏览/下载：12/0  |  提交时间：2025/01/14 Proteins  Programmable logic arrays  Three-dimensional displays  Predictive models  Graph neural networks  Data models  Convolution  Protein-ligand binding affinity  graph neural networks  inductive bias  drug-target interaction  structure-based virtual screening   Discovery of a novel small inhibitor RJ19 targeting to human Hsp90 期刊论文  OAI收割 NUCLEAR SCIENCE AND TECHNIQUES, 2017, 卷号: 28, 期号: 10 作者:  Cao HuiLing;  Lyu KaiKai;  Liu Bin;  Li Jian;  He JianHua   |  收藏  |  浏览/下载：17/0  |  提交时间：2021/02/26 ATP HYDROLYSIS  PROTEIN  CHAPERONE  IDENTIFICATION  BINDING  DESIGN  Heat shock protein 90  Drug target  Inhibitor  X-ray diffraction  Complex crystal structure   . Isomer-selective distribution of 3-n-butylphthalide (NBP) hydroxylated metabolites, 3-hydroxy-NBP and 10-hydroxy-NBP, across the rat blood-brain barrier 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2015, 卷号: 36, 期号: 12, 页码: 1520-1527 作者:  Diao, Xing-xing;  Zhong, Kan;  Li, Xiu-li;  Zhong, Da-fang;  Chen, Xiao-yan   |  收藏  |  浏览/下载：33/0  |  提交时间：2019/01/08 3-n-butylphthalide (NBP)  3-OH-NBP  10-OH-NBP  blood-brain barrier  isomer-selective  drug plasma protein binding  drug brain protein binding  P-gp/BCRP  cerebral ischemia   Lathyrol Diterpenes as Modulators of P-Glycoprotein Dependent Multidrug Resistance: Structure-Activity Relationship Studies on Euphorbia Factor L-3 Derivatives 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2015, 卷号: 58, 期号: 9, 页码: 3720-3738 作者:  Jiao, Wei;  Wan, Zhongmin;  Chen, Shuang;  Lu, Runhua;  Chen, Xiaozhen 收藏  |  浏览/下载：55/0  |  提交时间：2016/12/22 MOUSE LYMPHOMA-CELLS  JATROPHANE DITERPENES  BREAST-CANCER  MACROCYCLIC DITERPENES  PROTEIN STRUCTURES  DRUG-BINDING  DISCOVERY  TRANSPORTERS  GENERATION  DATABASE   The Universal Statistical Distributions of the Affinity, Equilibrium Constants, Kinetics and Specificity in Biomolecular Recognition 期刊论文  OAI收割 plos computational biology, 2015, 卷号: 11, 期号: 4, 页码: 5493-5497 作者:  Zheng,Xiliang;  Wang,Jin 收藏  |  浏览/下载：31/0  |  提交时间：2016/05/12 SINGLE-MOLECULE DYNAMICS  RANDOM-ENERGY-MODEL  PROTEIN-FOLDING FUNNELS  3-HELIX BUNDLE PROTEIN  DRUG DISCOVERY  COMBINATORIAL TECHNOLOGIES  ENZYMATIC DYNAMICS  INTERFACE BINDING  LANDSCAPE MODEL  LIGAND-BINDING   isomerselectivedistributionof3nbutylphthalidenbphydroxylatedmetabolites3hydroxynbpand10hydroxynbpacrosstheratbloodbrainbarrier 期刊论文  OAI收割 actapharmacologicasinica, 2015, 卷号: 36, 期号: 12, 页码: 1520 作者:  Diao Xingxing;  Zhong Kan;  Li Xiuli;  Zhong Dafang;  Chen Xiaoyan   |  收藏  |  浏览/下载：18/0  |  提交时间：2020/07/01 CANCER RESISTANCE PROTEIN  P-GLYCOPROTEIN P-GP/ABCB1  TANDEM MASS-SPECTROMETRY  FOCAL CEREBRAL-ISCHEMIA  PLASMA-PROTEIN  CHIRAL 3-N-BUTYLPHTHALIDE  TISSUE DISTRIBUTION  DRUG DISCOVERY  BINDING  PENETRATION  3-n-butylphthalide (NBP)  3-OH-NBP  10-OH-NBP  blood-brain barrier  isomer-selective  drug plasma protein binding  drug brain protein binding  P-gp/BCRP  cerebral ischemia   Comprehensive identification of the binding sites of cisplatin in hen egg white lysozyme 期刊论文  OAI收割 analytical and bioanalytical chemistry, 2014, 卷号: 406, 期号: 15, 页码: 3537-3549 Zhang, Ningbo; Du, Yonggang; Cui, Meng; Liu,Zhiqiang; Liu,Shuying 收藏  |  浏览/下载：38/0  |  提交时间：2015/10/20 RESONANCE MASS-SPECTROMETRY  ANTICANCER DRUG CISPLATIN  AQUEOUS SOLVENT SYSTEMS  X-RAY-DIFFRACTION  TOP-DOWN  CARBOPLATIN BINDING  CHAPERONE ATOX1  CYTOCHROME-C  PROTEIN  ESI   Benzbromarone, an old uricosuric drug, inhibits human fatty acid binding protein 4 in vitro and lowers the blood glucose level in db/db mice 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1397-1402 作者:  Cai, Hai-yan;  Wang, Ting;  Zhao, Jian-chun;  Sun, Peng;  Yan, Gui-rui   |  收藏  |  浏览/下载：34/0  |  提交时间：2019/01/08 benzbromarone  uricosuric drug  fatty acid-binding protein 4  adipocyte  diabetes  db/db mouse  molecular docking   Thermodynamic and kinetic specificities of ligand binding 期刊论文  OAI收割 chemical science, 2013, 卷号: 4, 期号: 6, 页码: 2387-2395 Yan ZQ; Zheng XL; Wang EK; Wang J 收藏  |  浏览/下载：37/0  |  提交时间：2014/04/18 PROTEIN-INTERACTION SPECIFICITY  BIOMOLECULAR INTERFACE BINDING  DRUG DISCOVERY  STATISTICAL-MECHANICS  MOLECULAR RECOGNITION  ENERGY LANDSCAPES  FOLDING FUNNELS  RESIDENCE TIME  DESIGN  DOCKING   Identification of polyoxometalates as inhibitors of basic fibroblast growth factor 期刊论文  OAI收割 molecular biosystems, 2013, 卷号: 9, 期号: 1, 页码: 113-120 Pu F; Wang EB; Jiang HY; Ren JS 收藏  |  浏览/下载：29/0  |  提交时间：2014/04/16 HUMAN SERUM-ALBUMIN  HEPARIN-BINDING  3-DIMENSIONAL STRUCTURE  ANTIANGIOGENIC DRUG  RECEPTOR-BINDING  ANGIOGENESIS  PROTEIN  MECHANISMS  GLYCOSAMINOGLYCANS  PROLIFERATION