机构

• 上海药物研究所 [3]
• 长春应用化学研究所 [3]
• 力学研究所 [2]
• 计算技术研究所 [1]
• 中国科学院大学 [1]
• 生态环境研究中心 [1]
• 更多

采集方式

• OAI收割 [10]
• iSwitch采集 [1]

内容类型

• 期刊论文 [11]

发表日期

• 2024 [1]
• 2023 [1]
• 2021 [1]
• 2018 [2]
• 2013 [2]
• 2010 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共11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：9/0  |  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   Two dimensional measurements of receptor ligand interactions 期刊论文  OAI收割 FRONTIERS IN MOLECULAR BIOSCIENCES, 2023, 卷号: 10, 页码: 1154074 作者:  Zheng SJ(郑松杰);  Zou M(邹敏);  Shao YF(邵颖峰);  Wu, Huaping;  Wu, Helong   |  收藏  |  浏览/下载：10/0  |  提交时间：2023/04/20 receptor ligand interaction  binding kinetics  kinetic on rate  kinetic off rate  binding affinity  two dimensional measuring methods   CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction 期刊论文  OAI收割 BIOMOLECULES, 2021, 卷号: 11, 期号: 5, 页码: 9 作者:  Wang, Xun;  Liu, Dayan;  Zhu, Jinfu;  Rodriguez-Paton, Alfonso;  Song, Tao   |  收藏  |  浏览/下载：61/0  |  提交时间：2021/12/01 protein-ligand binding affinity  2-D structural CNN  spatial attention mechanism   Direct fluorescence anisotropy approach for aflatoxin B1 detection and affinity binding study by using single tetramethylrhodamine labeled aptamer 期刊论文  OAI收割 TALANTA, 2018, 卷号: 189, 页码: 442-450 作者:  Sun, Linlin;  Zhao, Qiang   |  收藏  |  浏览/下载：223/0  |  提交时间：2019/06/20 Aptamer  Fluorescence anisotropy  Fluorescence polarization  Aflatoxin  Affinity ligand  Binding affinity   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:     |  收藏  |  浏览/下载：26/0  |  提交时间：2019/01/08 GPCR  receptor-ligand recognition  drug design  molecular modeling  molecular dynamics  docking  binding affinity  binding pathway   Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity 期刊论文  OAI收割 current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2246-2258 Zheng XL; Liu ZJ; Li D; Wang EK; Wang J 收藏  |  浏览/下载：28/0  |  提交时间：2014/04/20 EMPIRICAL SCORING FUNCTIONS  SMALL-MOLECULE INHIBITOR  SELF-ORGANIZING MAP  MARKETED ORAL-DRUGS  LIGAND INTERACTIONS  FLEXIBLE DOCKING  AUTOMATED DOCKING  BINDING-AFFINITY  GENETIC ALGORITHM  COMPOUND COLLECTIONS   Optimizing Scoring Function of Protein-Nucleic Acid Interactions with Both Affinity and Specificity 期刊论文  OAI收割 plos one, 2013, 卷号: 8, 期号: 9, 页码: 文献号: e74443 Yan ZQ; Wang J 收藏  |  浏览/下载：22/0  |  提交时间：2014/04/15 KNOWLEDGE-BASED POTENTIALS  COMPUTATIONAL REDESIGN  DOCKING BENCHMARK  MEAN FORCE  MOLECULAR RECOGNITION  BINDING-AFFINITY  DNA INTERACTIONS  ENERGY FUNCTION  LIGAND-BINDING  DATA-BANK   Applications of Ultrafiltration Mass Spectrometry in the Studies on Interaction Between Small Drug Molecule and Biological Target 期刊论文  OAI收割 progress in chemistry, 2010, 卷号: 22, 期号: 11, 页码: 2207-2214 Zhou H; Song FR; Liu ZQ; Liu SY 收藏  |  浏览/下载：21/0  |  提交时间：2012/04/25 SCREENING COMBINATORIAL LIBRARIES  PULSED ULTRAFILTRATION  NONCOVALENT COMPLEXES  ESTROGENIC ACTIVITY  ESI-MS  BINDING  AFFINITY  DNA  INHIBITORS  LIGAND   Two-Dimensional Kinetics Of Beta(2)-Integrin And Icam-1 Bindings Between Neutrophils And Melanoma Cells In A Shear Flow 期刊论文  OAI收割 American Journal of Physiology-Cell Physiology, 2008, 页码: C743-C753 作者:  Liang SL;  Fu ZL(傅长亮);  Wagner D;  Guo HG;  Zhan DY 收藏  |  浏览/下载：901/60  |  提交时间：2009/08/03 Heterotypic Cell Aggregation  Adhesion Molecule  Leukocyte  Tumor Cell  Reverse Rate  Binding Affinity  Probabilistic Model  Polymorpho-Nuclear Neutrophils  Intercellular Adhesion Molecule-1  Intercellular-Adhesion Molecule-1  Ligand-Mediated Adhesion  Hydrodynamic Shear  L-Selectin  Malignant-Melanoma  Dynamic Regulation  Variant Isoforms  Stable Adhesion  Latex Spheres  P-Selectin   The conserved residue phe273(282) of ppar alpha(gamma), beyond the ligand-binding site, functions in binding affinity through solvation effect 期刊论文  iSwitch采集 Biochimie, 2005, 卷号: 87, 期号: 6, 页码: 539-550 作者:  Yue, LD;  Ye, F;  Xu, XY;  Shen, JH 收藏  |  浏览/下载：13/0  |  提交时间：2019/05/10 Peroxisome proliferator-activated receptor (ppar)  Mutation  Ligand-binding affinity  Solvation effect  Molecular dynamics  Surface plamon resonance (spr)  Transcriptional activation