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浏览/检索结果: 共147条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择发表日期升序发表日期降序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 Discovery and molecular mechanism of a novel antihypertensive peptide from Chlamydomonas reinhardtii based on molecular docking, molecular dynamics simulation, in vitro, and in vivo analysis 期刊论文  OAI收割 FOOD RESEARCH INTERNATIONAL, 2026, 卷号: 229, 页码: 13 作者:  Suo, Qishan;  Yue, Yang;  Wang, Jing;  Wu, Ning;  Geng, Lihua   |  收藏  |  浏览/下载：0/0  |  提交时间：2026/06/02 Chlamydomonas reinhardtii peptides  Angiotensin converting enzyme inhibitor  Molecular dynamics simulation  Virtual screening  Antihypertensive functional food   Discovery of novel selective PRMT5-MTA inhibitors through structure-based virtual screening 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2026, 卷号: 168, 页码: 17 作者:  Ma, Ning;  Chen, Yang;  Liang, Yiru;  Chen, Xiaoxu;  Song, Fengnan   |  收藏  |  浏览/下载：0/0  |  提交时间：2026/01/29 PRMT5 inhibitors  Structure-based virtual screening  MTA selectivity  Molecular dynamics simulation  SAR analysis   AI-enhanced virtual screening approach to hit identification for GluN1/GluN3A NMDA receptor 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 12 作者:  Ji, Yue-shan;  Zeng, Yue;  Hu, Shao-fei;  Li, Shu-wang;  Zhang, Bei-chen   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/12/04 N-methyl-D-aspartate receptors (NMDARs)  GluN1/GluN3A  virtual screening  shape screening  rapid overlay of chemical structures (ROCS)  bidirectional and auto-regressive transformers (BART)   Identification of small-molecule inhibitors for GluN1/GluN3A NMDA receptors via a multiscale CNN-based prediction model 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 9 作者:  Han, Li;  Zeng, Yue;  Qu, Zhi-yan;  Fang, Sui;  Wang, Hai-ying   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/12/04 N-methyl-D-aspartate receptors  GluN1/GluN3A  drug-target binding affinity  convolutional neural networks  ImageDTA  virtual screening   Discovery of selective GluN1/GluN3A NMDA receptor inhibitors using integrated AI and physics-based approaches 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 10 作者:  Li, Shi-wei;  Zeng, Yue;  Wu, Sa-nan;  Ma, Xin-yue;  Xu, Chao   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/09/09 N-methyl-D-aspartate receptors  GluN1/GluN3A  deep learning  molecular docking  virtual screening  binding site identification   Contrastive learning-based drug screening model for GluN1/GluN3A inhibitors 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 13 作者:  Li, Kun;  Zeng, Yue;  Xiong, Yi-da;  Wu, Hao-chen;  Fang, Sui   |  收藏  |  浏览/下载：32/0  |  提交时间：2025/08/20 drug-target affinity prediction  virtual screening  contrastive learning  graph neural network  N-methyl-D-aspartate (NMDA) receptors  GluN3A subunit.   Discovery of novel GluN1/GluN3A NMDA receptor inhibitors using a deep learning-based method 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 8 作者:  Wang, Shi-hang;  Zeng, Yue;  Yang, Hao;  Tian, Si-yuan;  Zhou, Yong-qi   |  收藏  |  浏览/下载：42/0  |  提交时间：2025/07/25 N-methyl-D-aspartate receptors  GluN1/GluN3A  ligand-based virtual screening  scaffold hopping  deep learning  GeminiMol   An efficient deep learning-based strategy to screen inhibitors for GluN1/GluN3A receptor 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 9 作者:  Wang, Ze-chen;  Zeng, Yue;  Sun, Jin-yuan;  Chen, Xue-qin;  Wu, Hao-chen   |  收藏  |  浏览/下载：42/0  |  提交时间：2025/04/24 deep learning  scoring function  GluN1/GluN3A receptor  N-methyl-D-aspartate (NMDA) receptor  virtual screening  drug discovery   Discovery of novel covalent stabilizers for p53 Y220C using structure-based drug discovery methods 期刊论文  OAI收割 MOLECULAR DIVERSITY, 2025, 页码: 14 作者:  Wen, Yiming;  Xu, Peijia;  Chen, Yijie;  Meng, Jingyi;  Zheng, Mingyue   |  收藏  |  浏览/下载：59/0  |  提交时间：2025/04/01 p53 Y220C  Covalent stabilizer  Virtual screening  Molecular dynamics  DNA binding  Structure-activity relationship  Cancer therapy   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：56/0  |  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