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浏览/检索结果: 共1242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 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：7/0  |  提交时间：2025/07/25 N-methyl-D-aspartate receptors  GluN1/GluN3A  ligand-based virtual screening  scaffold hopping  deep learning  GeminiMol   Discovery of multi-chitinase inhibitors cinnamyl thiazolidinone compounds as candidates for insect growth regulators via ligand-based optimization strategies 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2025, 卷号: 306, 页码: 14 作者:  Jiang, Zhiyang;  Shi, Dongmei;  Fu, Haoyu;  Li, Yan;  Zou, Renxuan   |  收藏  |  浏览/下载：11/0  |  提交时间：2025/05/27 Multi-chitinase inhibitor  Cinnamaldehyde compounds  Thiazolidinone compounds  Ligand-based optimization  Insect growth regulators (IGRs)   Proteome-Wide Data Guides the Discovery of Lysine-Targeting Covalent Inhibitors Using DNA-Encoded Chemical Libraries 期刊论文  OAI收割 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2025, 页码: 14 作者:     |  收藏  |  浏览/下载：18/0  |  提交时间：2025/06/23 Activity-based protein profiling data  Covalent DNA-encoded chemical library  Covalent ligand selection  Lysine-targeting covalent inhibitors   Phosphatidylinositol 4,5-bisphosphate activation mechanism of human KCNQ5 期刊论文  OAI收割 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2025, 卷号: 122, 期号: 14, 页码: 11 作者:  Yang, Zhenni;  Zheng, Yueming;  Ma, Demin;  Wang, Long;  Zhang, Jiatong   |  收藏  |  浏览/下载：10/0  |  提交时间：2025/06/23 KCNQ  PIP2  ligand activation  structure  mechanism   Geriatric Nutritional Risk Index is an effective prognostic predictor for metastatic/recurrent or unresectable esophageal cancer receiving immunotherapy 期刊论文  OAI收割 JOURNAL OF GASTROINTESTINAL ONCOLOGY, 2025, 卷号: 16, 期号: 1, 页码: 22 作者:  Wang, Bei;  Wang, Zixuan;  Xu, Chuanhai;  Wang, Yueqin;  Gao, Honglan   |  收藏  |  浏览/下载：5/0  |  提交时间：2025/05/27 Geriatric Nutritional Risk Index (GNRI)  esophageal squamous cell carcinoma (ESCC)  immune checkpoint inhibitors (ICIs)  programmed cell death ligand 1 (PD-L1)   Enhanced Gut-to-Liver Oral Drug Delivery via Ligand-Modified Nanoparticles by Attenuating Protein Corona Adsorption 期刊论文  OAI收割 ACS NANO, 2024, 卷号: 18, 期号: 52, 页码: 35310-35324 作者:  Wang, Jie;  Zhang, Zilong;  Zhang, Zhuan;  Zou, Zhiwen;  Zhuo, Yan   |  收藏  |  浏览/下载：19/0  |  提交时间：2025/02/28 protein corona  ligand-modified nanoparticles  oral delivery  liver targeting  mucus   Synchrotron Radiation: A Key Tool for Drug Discovery 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10 作者:  Li, Fengcheng;  Liu, Runze;  Li, Wenjun;  Xie, Mingyuan;  Qin, Song   |  收藏  |  浏览/下载：24/0  |  提交时间：2024/12/06 Synchrotron radiation  Drug discovery  Protein crystals  Structure determination  Ligand screening   Synchrotron Radiation: A Key Tool for Drug Discovery 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10 作者:  Li, Fengcheng;  Liu, Runze;  Li, Wenjun;  Xie, Mingyuan;  Qin, Song   |  收藏  |  浏览/下载：20/0  |  提交时间：2024/12/06 Synchrotron radiation  Drug discovery  Protein crystals  Structure determination  Ligand screening   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：23/0  |  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   Ligand-Enabled Pd-Catalyzed sp3 C-H Macrocyclization: Synthesis and Evaluation of Macrocyclic Sulfonamide for the Treatment of Parkinson's Disease 期刊论文  OAI收割 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2024, 卷号: 63, 期号: 45, 页码: 11 作者:  Bi, Tongyu;  Cui, Yunxia;  Liu, Shuai;  Yu, Haiyue;  Qiu, Weirong   |  收藏  |  浏览/下载：17/0  |  提交时间：2024/11/26 C-H activation  ligand-mediated macrocyclization  Pd catalysis  SIRT3  PD treatment