Integrative structural and functional analysis of nsSNPs in AP1S1, CERCAM, and SLC34A2 reveals novel therapeutic targets in lung adenocarcinoma [0.03%]
AP1S1、CERCAM和SLC34A2中nsSNPs的集成结构与功能分析可揭示肺腺癌中的新治疗靶点
Binisha Robinson,Amish Kushal,Luke Elizabeth Hanna et al.
Binisha Robinson et al.
Lung adenocarcinoma (LUAD), a leading type of non-small cell lung cancer, exhibits considerable molecular diversity due to genetic, epigenetic, and transcriptomic alterations, which affect tumour progression, treatment efficacy, and prognos...
MHCmet: A neural network based epitope prediction tool for orthohantaviruses [0.03%]
基于神经网络的正汉塔病毒表位预测工具MHCmet
Devanshi Sharma,Rishabh Dhenkawat,Snehal Saini et al.
Devanshi Sharma et al.
Identification of peptide immunogens in a pathogen proteome can help to develop diagnostic kits, therapeutics, and preventive vaccines. Traditional methods for identifying such peptides are often laborious, time-consuming, and resource inte...
Fragment mapping-guided virtual screening identifies a small-molecule modulator of NPM1 oligomerization [0.03%]
基于片段的虚拟筛选发现的小分子NPM1寡聚化调节剂
Shin-Ichiro Ozawa,Taiyo Kikuchi,Mitsuru Okuwaki et al.
Shin-Ichiro Ozawa et al.
Nucleophosmin 1 (NPM1) is a multifunctional nucleolar protein whose oligomeric assembly is essential for its cellular functions and is implicated in human malignancies, including acute myeloid leukemia. Targeting protein-protein interaction...
A reproducible computational transcriptomic framework for cell-type-resolved fibroinflammatory-AKT remodeling in human heart failure [0.03%]
可重现的计算转录组框架在人类心力衰竭中解析成纤维炎症和AKT重塑细胞类型分辨能力
YiMeng Li
YiMeng Li
Background: Human heart failure involves multicellular transcriptional remodeling, but public transcriptomic studies often remain disconnected from cell-type localization and perturbational interpretation. ...
Integrated transcriptomic and machine learning analysis identifies female-associated candidate biomarkers in Idiopathic pulmonary arterial hypertension [0.03%]
整合转录组和机器学习分析识别特发性肺动脉高压的女性相关候选生物标志物
Atefeh Pourdadashi,Pariya Eskandari,Zahra Ghayour Najafabadi et al.
Atefeh Pourdadashi et al.
Background: Idiopathic pulmonary arterial hypertension (IPAH) exhibits a marked female predominance. Despite this "estrogen paradox," the molecular basis of sex-associated pathogenesis remains incompletely understood, lim...
Integrative computational discovery of a lichen-derived acetylcholinesterase inhibitor candidate for Alzheimer's disease [0.03%]
集积分子发现来自地衣的用于治疗阿尔茨海默病的乙酰胆碱酯酶抑制剂候选药物
Leslie Pamela Larico-Ramirez,Margot Paco-Chipana,María Isabel Herrera et al.
Leslie Pamela Larico-Ramirez et al.
Alzheimer's disease (AD), the leading cause of dementia worldwide, is a progressive neurodegenerative disorder for which current pharmacological treatments provide only limited symptomatic relief. Human acetylcholinesterase (hAChE) remains ...
A comprehensive analysis reveals the potential risks and molecular connections between aspartame and polycystic ovary syndrome [0.03%]
全面分析揭示了天冬氨酰苯丙氨酸甲酯与多囊卵巢综合征之间潜在风险和分子关联性
Zebin Huang,Lingna Xie,Xinyu Zheng et al.
Zebin Huang et al.
The widespread use of aspartame has raised increasing health concerns, particularly regarding its potential endocrine-disrupting effects and a possible association with polycystic ovary syndrome (PCOS), a condition marked by endocrine and m...
Virtual screening, synthesis and activity evaluation of quinoline derivatives as potential stabilizers of p53 Y220C [0.03%]
虚拟筛选、合成及评估一系列喹啉衍生物作为p53Y220C稳定剂的潜能
Fengqian Xu,Mengyao Liu,Jingyi Meng et al.
Fengqian Xu et al.
p53 is widely regarded as the key regulator of anti-cancer mechanisms. The p53 Y220C mutation is one of the most common mutations. This mutation disrupts critical hydrogen bonds and the hydrophobic core in the DNA binding domain (DBD) of th...
Artificial Intelligence based modeling for unsteady cross nanofluid flow over a stretching sheet [0.03%]
基于人工智能的不定常交叉纳米流体扩增板流动模型预测研究
Shuangcen Li,Muhammad Asif Zahoor Raja,Zahoor Shah et al.
Shuangcen Li et al.
The present research focuses on the outcome of Artificial Intelligence technique Levenberg-Marquardt Algorithm with Non-linear Auto Regressive Exogenous on cross-section of nanofluid movement built across a contracting cylinder. This study ...
Conditional molecular dynamics refinement for protein-ligand affinity prediction [0.03%]
基于条件分子动力学的蛋白质-配体亲和性预测精修方法
Hao Li,Dongjiang Niu,Xiaofeng Wang et al.
Hao Li et al.
Protein-ligand affinity prediction is fundamental to structure-based virtual screening and lead discovery. However, most existing methods rely on a single static conformation of the complex and exhibit high sensitivity to pose uncertainty a...