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浏览/检索结果: 共160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 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：9/0  |  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:     |  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   GPCR-BSD: a database of binding sites of human G-protein coupled receptors under diverse states 期刊论文  OAI收割 BMC BIOINFORMATICS, 2024, 卷号: 25, 期号: 1, 页码: 16 作者:  Liu, Fan;  Zhou, Han;  Li, Xiaonong;  Zhou, Liangliang;  Yu, Chungong   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/12/06 G-protein coupled receptor  State-specific structure  Binding site  Key residue  Database   Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes 期刊论文  OAI收割 JOURNAL OF STRUCTURAL BIOLOGY, 2023, 卷号: 215, 期号: 3, 页码: 9 作者:  Sun, Zengchao;  Wang, Lu;  Li, Lingyun;  Sun, Yili;  Zhang, Daizhou   |  收藏  |  浏览/下载：22/0  |  提交时间：2023/10/17 SARS-CoV-2 virus  Receptor -binding domain  Nanobody  Crystal structure  Conservative binding epitope  Bi-paratopic nanobodies   Chloride-binding capacity of mortars composed of marine sand subjected to external chloride penetration CNKI期刊论文  OAI收割 2022 作者:  Congtao SUN;  Ming SUN;  Tao TAO;  Feng QU;  Gongxun WANG   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/12/18 marine sand  mortar  chloride binding  Friedel's salt  pore structure   Chloride-binding capacity of mortars composed of marine sand subjected to external chloride penetration 期刊论文  OAI收割 JOURNAL OF OCEANOLOGY AND LIMNOLOGY, 2022, 页码: 10 作者:  Sun, Congtao;  Sun, Ming;  Tao, Tao   |  收藏  |  浏览/下载：36/0  |  提交时间：2022/07/18 marine sand  mortar  chloride binding  Friedel's salt  pore structure   First-principles study on the atomic structure of two-dimensional molybdenum boride 期刊论文  OAI收割 Materials Research Express, 2022, 卷号: 9, 期号: 3 作者:  Ma,Linlin;  Cheng,Chao;  Zhang,Xin;  Wang,Shaoqing   |  收藏  |  浏览/下载：28/0  |  提交时间：2022/07/01 2D molybdenum boride  binding energy  chemical bonding  atomic structure stability  low-dimensional material   Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols 期刊论文  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 793, 页码: - 作者:  Liu, Xiuchang;  Xue, Qiao;  Zhang, Huazhou;  Fu, Jianjie;  Zhang, Aiqian   |  收藏  |  浏览/下载：20/0  |  提交时间：2022/01/04 Structure-dependent GPER binding  Molecular recognition mechanism  Induced-fit effect  Molecular dynamics simulations  Bisphenols   Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12 作者:  Xiong, Jiacheng;  Xiang, Yusen;  Huang, Ziming;  Liu, Xiaohong;  Wang, Mengge   |  收藏  |  浏览/下载：82/0  |  提交时间：2021/12/01 SARS-CoV-2  angiotensin-converting enzyme 2 (ACE2)  spike protein receptor-binding domain (S-RBD)  structure-based virtual screening  protein-protein interaction (PPI) inhibitors   Research progress on the theory and new technology for separation of lithium isotopes by chemical exchange 期刊论文  OAI收割 Huagong Xuebao/CIESC Journal, 2021, 卷号: 72, 期号: 6, 页码: 3215-3227 作者:  Cui, Li;  Fan, Yuheng;  Li, Shasha   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/21 Binding energy - Sustainable development - Electronic structure - Isotopes - Crown ethers - Ion exchange - Lithium - Ethers