Differential Impact of Substrate Peptides on Interdomain Interactions in Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease [0.03%]
底物多肽对严重急性呼吸系统综合症冠状病毒2型主要蛋白酶结构域间相互作用的不同影响
Asma Fatima,Kabir H Biswas
Asma Fatima
Severe acute respiratory syndrome coronavirus 2 main protease (Mpro) is essential for viral replication by cleaving polyproteins pp1a and pp1ab at 11 sites into functional proteins and remains a major pharmacological target. Although its st...
Informative Missingness in Nominal Data: A Graph-Theoretic Approach to Revealing Hidden Structure [0.03%]
名义型数据中的说明性缺失性：一种揭示隐藏结构的图理论方法
Ehsan Zangene,Veit Schwämmle,Mohieddin Jafari
Ehsan Zangene
Missing data is often treated as a nuisance, routinely imputed or excluded from statistical analyses, especially in nominal datasets where its structure cannot be easily modeled. However, the form of missingness itself can reveal hidden rel...
DrugForm-TAS: Target-Agnostic Selectivity as Proteome-wide Binding Propensity Estimation [0.03%]
药物形式-TAS：作为全蛋白质组结合倾向估计的靶点不可知选择性
Anna Tashchilova,Ivan Khokhlov,Alexey Seikin et al.
Anna Tashchilova et al.
Assessing the selectivity of binding a small molecule with proteins remains a fundamental yet unresolved challenge in computational drug discovery. Conventional strategies for estimating ligand selectivity depend on exhaustive cross-predict...
Graph Neural Networks Reveal Candidate Protein Biomarkers Underlying Abdominal Aortic Aneurysm Biology [0.03%]
图神经网络揭示腹部主动脉瘤生物学候选蛋白生物标志物
Venkat Ayyalasomayajula,Lotte Rijken,Vivian Waard et al.
Venkat Ayyalasomayajula et al.
Abdominal aortic aneurysm (AAA) remains difficult to detect early due to its silent progression and lack of reliable molecular biomarkers. Computational prioritization of disease-associated proteins from protein-protein interaction (PPI) ne...
TRACE-DDI: A Hybrid Framework of Transformer-GAT Context Encoder and Pathway-Anchored Knowledge Graphs for DDI Prediction [0.03%]
基于Transformer-GAT上下文编码器和路径锚定知识图谱的DDI预测框架 TRACE-DDI
Junku Kim,Taehyeok Seo,Kyuri Jo
Junku Kim
Accurate prediction of drug-drug interactions (DDIs) is crucial for preventing adverse drug reactions and improving drug development efficiency. However, most existing DDI prediction models treat chemical structure and biological knowledge ...
Ecological and Functional Stratification of the Stool Microbiome Predicts Response to Immune Checkpoint Inhibitors across Cancer Types [0.03%]
肿瘤类型间的免疫检查点抑制剂反应预测：肠道微生物组的生态和功能分层
Vera A Orletskaia,Evgenii I Olekhnovich
Vera A Orletskaia
Despite the recognized role of the gut microbiome in modulating immune checkpoint inhibitor efficacy, the ecological principles governing this relationship remain elusive. Moving beyond cataloging specific bacteria, we investigated whether ...
Conserved Motifs in the Ligand-Binding Domain of TetR Family Regulators: Identification and Analysis [0.03%]
四环素耐药基因调控蛋白特征保守基序的识别与分析研究进展
Maria Kepa,Maciej Nielipinski,Estera Widawska et al.
Maria Kepa et al.
TetR family regulators (TFRs) represent one of the largest and most extensively studied groups of bacterial transcription factors. TFRs contain 2 domains, a conserved N-terminal DNA binding domain and a remarkably variable C-terminal domain...
Next-Generation Sequencing Dataset Downloader and In Silico Sequence Mining: Graphical-User-Interface-Based Tools for Accessible, Multiprobe Target Mining in Next-Generation Sequencing Data [0.03%]
下一代序列测定数据下载程序和计算机内序列筛选：基于图形使用者界面，用于在下一代序列测定数据中易于使用的多重探测目标筛选工具
Min Chan Kim,Hye Ji Jung,Min Chang Kang et al.
Min Chan Kim et al.
Next-generation sequencing (NGS) is expanding in clinical practice, yet many pipelines defer actionable decisions until full alignment and taxonomic calling are complete. The primary contribution of In Silico Sequence Mining (ISSM) lies in ...
TAPINTO: A Novel Algorithm for Tumor-Associated Antigen Prediction Based on Information about Target Overexpression [0.03%]
基于靶向过表达信息的新型肿瘤相关抗原预测算法TAPINTO研究
Cheng-Hsun Chuang,Hsiao-Hsuan Huang,Yi-Syuan Wu et al.
Cheng-Hsun Chuang et al.
Identifying the tumor-associated antigens (TAAs) overexpressed in a subgroup of tumor patients is a substantial challenge for cancer treatment. Although there are several methods based on the concept of differential expression, there is a l...
Promoting Effects of Urinary Proteins from Stone Formers and Influence of Their Physicochemical Properties on Calcium Oxalate Kidney Stone Formation [0.03%]
结石患者尿蛋白的促石作用及理化性质对草酸钙肾结石形成的影响
Suttipong Suttapitugsakul,Paleerath Peerapen,Visith Thongboonkerd
Suttipong Suttapitugsakul
Urinary proteins from stone formers/patients have been hypothesized to promote the formation of kidney stones, but with unclear information. In this study, urinary proteins derived from patients with calcium oxalate (CaOx) kidney stones wer...