Designing of sorafenib analogs to target c-Raf for the management of hepatocellular carcinoma: Molecular dynamics and mmPBSA analysis [0.03%]
设计罗拉非尼类似物靶向c-Raf以管理肝细胞癌：分子动力学和mmPBSA分析
Saima Ejaz,Rehan Zafar Paracha,Maryum Nisar et al.
Saima Ejaz et al.
Introduction: Sorafenib remains the only approved treatment for advanced hepatocellular carcinoma (HCC), yet its clinical use is hindered by toxicity and the emergence of drug resistance. Sorafenib's anticancer effects are largely attribute...
Neelofar Sohi,Shaheena Sohi
Neelofar Sohi
Human Genome Project (HGP), Genome Wide Association Studies (GWAS) and The Cancer Genome Atlas (TCGA) are some of the remarkable research endeavors that generated massive amounts of information about Single Nucleotide Polymorphisms (SNPs) a...
Predicting functional co-occurrence probability in PPI networks via multi-level participation expectation [0.03%]
基于PPI网络的多级参与预期的功能共现概率预测方法
Peng Wang
Peng Wang
This study addresses the problem of protein function annotation and proposes a multi-source biological information-fusion framework called Functional co-Occurrence Probability Estimation (FOPE) for estimating functional co-occurrence probab...
NNDock2: A neural network-based scoring function for ranking protein-protein docking models [0.03%]
基于神经网络的蛋白质-蛋白质对接模型排序评分函数NNDock2
Myong-Ho Chae,Gwang So,Ung-Jin Kim
Myong-Ho Chae
Protein-protein interactions (PPIs) play crucial roles in diverse cellular functions and biological processes, and structural knowledge of the protein complexes is valuable for the elucidation of those functions and designing new drugs. Due...
Bond-resolved graph-theoretic modeling of structural invariance and metabolic accessibility in drug molecules [0.03%]
基于键的图论模型在药物分子结构不变性和代谢可达性中的应用
K Nalini Devi,G Srinivasa
K Nalini Devi
In this paper, we develop a connectivity-exact bond-resolved framework for quantifying structural accessibility and persistence in drug molecules. Representing a molecule as a heavy-atom graph [Formula: see text] each bond is classified uni...
KANBind as a diagnostic probe for DNA-binding protein prediction: A prevalence-calibrated reality check under strict homology control [0.03%]
基于严格同源对照的KANBind作为诊断探针用于DNA结合蛋白预测及流行率校准的真实检验
Qipeng Wen,Shaohua Jiang,Yiwen Zhang
Qipeng Wen
Deep learning reports over 90% DNA-binding protein (DBP) prediction performance on common benchmarks, but these results are usually obtained on balanced test sets and may not translate to proteome-wide scans with extreme class imbalance. He...
Deep subspace fusion based on integrated self-supervision for cancer subtype identification [0.03%]
基于集成自监督的深度子空间融合癌症亚型识别方法
Min Li,Mingzhuang Zhang,Mingzh Lou et al.
Min Li et al.
Given the rapid advancements in high-throughput technology, multi-omics data have become essential for identifying cancer subtypes and providing accurate medical treatments for patients. However, integrating multi-omics data and collecting ...
Integration of evolutionary computation and ensemble learning in bioinformatics (Case Study: Protein-Peptide Interaction Prediction) [0.03%]
生物信息学中进化计算与集成学习的结合（以蛋白质-肽相互作用预测为例）
Shima Shafiee,Abdolhossein Fathi,Ghazaleh Taherzadeh
Shima Shafiee
The performance of classifiers can decline due to irrelevant or non-informative features. Therefore, extracting meaningful high-level features from raw data through effective feature selection and construction is vital. This challenge is pa...
Predicting distant cancer metastasis using a weighted gene interaction network and sample-specific differential correlations [0.03%]
基于加权基因互作网络和样本特异性差异相关性的癌症远处转移预测模型
Jiahui Kang,Kyungsook Han
Jiahui Kang
Predicting metastasis in early stages of cancer plays a crucial role in effectively controlling cancer progression and thereby improving patient survival outcomes. Although several computational methods have been developed to predict cancer...
Analysis of the regulation of model parameters on delay time in the p53 dynamical response to single-stranded breaks [0.03%]
模型参数调节对单链断裂诱导的p53动力学响应滞后时间的影响分析
Aiqing Ma,Xiyan Yang
Aiqing Ma
The dynamic p53 response is a known determinant of cell fate. However, its temporal control, specifically the mechanisms regulating the delay time ([Formula: see text]) of the graded p53 pulse following single-stranded breaks (SSBs), remain...