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ORCIDComputational Biology and Chemistry, Volume 120
Volume 120, 2026
- Ana Laura Medina-Nieto, Sairy Yarely Andrade-Guillen
, Fátima Berenice Ramírez-Montiel, Fátima Tornero-Gutiérrez, José A. Martínez-Álvarez, Ángeles Rangel-Serrano, Itzel Páramo-Pérez, Naurú Idalia Vargas-Maya, Javier de la Mora, Claudia Leticia Mendoza-Macías, Patricia Cuéllar-Mata, Nayeli Alva-Murillo, Bernardo Franco, Felipe Padilla-Vaca:
Trichomonas vaginalis acid sphingomyelinases' theoretical structural analysis shows substrate binding diversity related to protein flexibility and mobility. 108601 - Asra Khan, Nouman Ali, Beenish Asrar, Saara Ahmad:
AI fragment based optimization of saffron and chamomile phytochemicals as aryl hydrocarbon receptor inhibitors for dementia therapy an integrated computational approach. 108606 - Álvaro Altamirano, Ignacio Tapia, Vicente Acuña, Daniel Garrido, Pedro A. Saa:
METACONE: A scalable framework for exploring the conversion cone of metabolic networks. 108607 - Md. Asraful Haque, Hifzur R. Siddique:
Generative artificial intelligence and large language models in smart healthcare applications: Current status and future perspectives. 108611 - Ashwini S, R. I. Minu, Jeevan Kumar M:
Predicting antigenic peptides using a multi-level pooling-based transformer model with enhanced Kolaskar & Tongaonkar's algorithm for feature selection. 108615 - Yige Yin, Xiaotao Li, Dongsheng Li, Yue Hu, Qiang Wu, Jiarong Zhao, Qiuyan Sun, Hongqiang Wang, Wulin Yang:
A two-step joint model based on deep learning realizes intelligent recognition of exfoliated cells in serous effusion. 108616 - Mohammad Tasyriq Che Omar, Mohd Farihan Musthafa Kamal, Mohamad Nurul Azmi:
Exploration of benzhydrol analogues of 1′-acetoxychavicol acetate as potential inhibitors of sdrE adhesion protein in Staphylococcus aureus: Antimicrobial activity and multi-computational analysis. 108618 - Rajneesh Kumar Patel:
BM3D filtering with Ensemble Hilbert-Huang Transform and spiking neural networks for cardiomegaly detection in chest radiographs. 108620 - Bowen Zhao, Zhenghui Chang, Mengqi Huo:
FEAOF: A transferable framework applied to prediction of hERG-related cardiotoxicity. 108622 - Juan Pablo Betancourt Arango, Deisy Yuliana Montoya Rodriguez, Sebastián Lozano Cruz, Gonzalo Taborda Ocampo:
In silico evaluation of pharmacokinetic properties and molecular docking for the identification of potential anticancer compounds. 108626 - Adebimpe Esan, George Adejo, Nnamdi Okomba, Afeez Adekunle Soladoye, Nicholas Aderinto, David B. Olawade:
AI-driven diagnosis of Lassa fever: Evidence from Nigerian clinical records. 108627 - Kiran Mahapatra, Swagat Ranjan Maharana, Showkat Ahmad Mir, Munmun Bordhan, Binata Nayak:
Discovery of biselyngbyaside B a novel lead inhibitor of drug-resistant bacteria targeting DNA gyrase B. 108628 - Zhiyuan Ouyang, Simei Huang, Liuju Liang, Jianing Xu, Caifen Wei, Yi Zhang, Hancheng Jiang, Haifeng Tang, Lu Wang, Lin Wang, Xiangzhi Li, Zhenbing Liu, Ruojie Zhang, Lian Qin, Xiaobo Yang:
A novel network for resolving subjective masking differences and accurate thyroid nodule diagnosis. 108572 - Thi-Tuyen Nguyen, Wenqing Zheng, Van-Nui Nguyen, Nguyen Quoc Khanh Le, Matthew Chin Heng Chua:
A unified graph-based approach for protein function prediction using AlphaFold structures and sequence features. 108609 - Manoj B. Chandak, Abhijeet Ramesh Raipurkar, Sunita G. Rawat:
Systemic Lupus Erythematosus prediction using Epistatic-Quantile Fusion Transformer network with integrated multi-omics and clinical data. 108617 - Saloni Rai:
A novel hybrid deep learning model using MEResNext for autism spectrum disorder detection. 108619 - Shraddha Jain, Rajeev Srivastava, Sukomal Pal:
Lightweight self-attention and deep gated neural network (LSA-DGNet) for multiple neurological disease detection. 108621 - Laura Piloneto Lima Hoefel, Rianne Remus Pulcinelli, Felipe Borges Almeida, Adriane Ribeiro Rosa, Rosane Gomez:
Differentially expressed proteins in the prefrontal cortex of individuals with alcohol use disorder: a multi-level biological network analysis. 108623 - Raheleh Bazrafshan, Mohammad Asadollahi-Baboli:
Intelligent consensus-based QSAR modeling and virtual screening of dual inhibitors of 5HT1A/5HT7 serotonin receptors. 108624 - S. Karthi, T. Ramalingam, R. Iyswarya, D. Arul Kumar:
QDCRNet: Quantum dilated convolutional recurrent network for virus detection using gene expression data. 108625 - Mehmet Karay, Zulqurnain Sabir, Ayse Nur Akkilic, Hasan Bulut:
A stochastic neural network for the numerical solutions of the nonlinear fractional order Zika virus model using reservoirs and human motion. 108629 - Yang Lv, Ting Liu, Chang Liu, Yuchen Ma, Yunfei Liu, Ze Liu, Yin Li:
LYnet: Computational identification of tumor T cell antigens using convolutional and recurrent neural networks. 108630 - Yue Ying, Nan Wu, Jinhao Huo, Yutao Wang, Wei Jin:
scUCAF: An uncertainty-aware cross-omics alignment and fusion network for single-cell multi-omics data clustering. 108631 - Tefei Lu, Sheng Chen, Lei Zhang, Botao Yu, Jianting Xu:
Integrative bioinformatic discovery and in vivo validation of immune-related hub genes in renal interstitial fibrosis. 108632 - Debora Gonçalves Barbosa, Karen Ruth Michio Barbosa, Yasmin Moreto Guaitolini, Matheus Correia Casotti, Rahna Gonçalves Coutinho da Cruz, Lorena Souza Castro Altoé, Isabele Pagani Pavan, Elizeu Fagundes de Carvalho, Iúri Drumond Louro, Débora Dummer Meira:
Unlocking the anti-aging potential: In silico analysis of astaxanthin, curcumin, quercetin, and resveratrol in modulating skin aging pathways. 108633 - Zixun Wang, Yimeng Sun, Xiaoling Zhang, Luqiang Wang, Desheng Song, Jingtao Yu, Xiaoxue Hu, Weiping Lin, Ruihua Wei:
Exploring potential therapeutic targets for myopia: Causal analysis and biological annotation with gut microbiota. 108634 - Akkireddi Vara Prasad, K. Vedavathi:
FoodABSANet: Developing an adaptive graph convolutional neural network for aspect-based sentiment analysis of food reviews with a weighted polarity score. 108635 - Abdelbaset Mohamed Elasbali, Afnan Elayyan Mousa Elayyan, Salem Hussain Alharethi, Taj Mohammad, Md. Imtaiyaz Hassan:
Phytochemicals as potential AXL inhibitors for cancer therapy: A computational study. 108636 - Pham Nhat Duy, Nguyen Phuong Thao, Thanh Le, Le Van Trinh:
Leveraging mutual information in Variational Autoencoders for improved dimensionality reduction of single-cell RNA sequencing data: The scInfoMaxVAE approach. 108637 - Awaz M. Abbas, Maiwan Bahjat Abdulrazaq, Adel Al-Zebari:
Efficient lightweight CNN for automated classification of B-cell acute lymphoblastic leukemia. 108645 - Samvedna Singh, Himanshi Gupta, Subhav Sinha, Aman Chandra Kaushik, Shraddha Kapoor, Amit Kumar Awasthi, Imteyaz Qamar, Shakti Sahi:
Unveiling therapeutic potential: In Silico discovery of prognostic markers and potential inhibitors for TGFßR1 in pancreatic cancer. 108646 - Swapnil Kumar, Avantika Agrawal, Vaibhav Vindal:
Exploring vulnerable building blocks in protein-protein interaction networks of breast tumor and adjacent normal tissues. 108647 - Gulam Rabbani, Mohammad Ehtisham Khan, Mohammad Aslam, Waleed Zakri, Mohammad Fareed, Glowi Alasiri, Wahid Ali, Syed Kashif Ali, Mohd Imran, Abdulrahman Khamaj, Jintae Lee:
Utilizing a combined approach of machine learning and structure-based drug design principles to identify potential hits targeting SphK1. 108648 - Prajisha Jayaprakash, Sujata Bhattacharyya, Handrika Saikia, Twahira Begum, Mohan Lal:
Sesquiterpene metabolites from Pogostemon cablin leaf essential oil as acetylcholinesterase inhibitors: An integrated computational and phytochemical study. 108652 - Nikolaos Kotsovolos, Leonhard Schnittger, Kgomotso Sibeko-Matjila:
Sequence- and structure-based bioinformatic screening for potential Theileria parva transport-related proteins. 108653 - Yeliz Demir, Hamid Ceylan, Esra Nur Yesilkent, Duygu Kizir, Melike Karaman, Cüneyt Türkes, Sükrü Beydemir:
Esculetin attenuates doxorubicin-induced cardiac toxicity: Evidence from gene expression, enzyme activity, and molecular docking analyses. 108654 - Yahui Zhang, Mengxia Zhao, Yiru Wang, Yanyan Zhu, Yujie Chen, Li Chen, Huiyu Li:
Ligand-mediated structural modulation and membrane stabilization of LPA1 receptor: Insights from molecular dynamics simulations. 108655 - Iman H. Ibrahim, Ahmed Abdellatif, Heba A. Eassa:
Altered protein lipidation in cancer: A hidden link to sensory neuronal dysfunction. 108656 - Jose Siguenza, Haci Baykara:
Molecular docking and dynamics simulations of 4-heteroarylidenamino-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives as potential anticancer agents. 108657 - Syed Mohammed Azmal, Sajja Tulasi Krishna:
OCR: OmniNet-Fusion: A hybrid attention-based CNN-RNN model for multi-omics integration in precision cancer drug response prediction. 108658 - Madiha Sardar, Nadeem Ahmad, Muhammad Huzaifa, Mamoona Mushtaq, Mohammad Nur-e-Alam, Pinghua Sun, Zaheer-ul-Haq:
Molecular dynamics study of M-Trifluoromethyl diphenyl diselenide binding to the μ-opioid receptor: A computational perspective on morphine-induced tolerance. 108659 - Haiting Yan, Ping Yuan, Beibei He, Hua Ye:
Discovery and validation of novel drug combinations for pulmonary fibrosis via Traditional Chinese Medicine insights and computer screening. 108660 - Payal Singh, Almas Akhtar, Nikita Admane, Abhinav Grover:
Adenine bolsters the monomeric conformations of the intrinsically disordered A53T mutant of α-Synuclein protein. 108661 - Medha Jha, Yasha Hasija:
Development and validation of AI-driven multi-omics language models for cancer genomics: A comprehensive review. 108662 - Asmaa M. Fahim:
Structure-based drug design; Computational strategies in drug discovery; Antihypertensive agents; Antiviral drugs; Molecular docking; QSAR; Pharmacological insights. 108663 - Obiora Cornelius Collins, Kevin Jan Duffy:
Optimal control strategies for reducing the interrelated issues of food insecurity and disease dynamics: A mathematical modelling approach using Nigeria as a case study. 108664 - Min Li, Ming Jin, Mingzhu Lou, Shaobo Deng, Lei Wang, Hua Rao:
Multiview-cooperated graph neural network enables novel multi-omics cancer subtype classification. 108665 - Gang Ran, Mao Hu, Jinyao Zhang, Wenkun Zhu, Yuanyuan Liang, Tangzhi Dai, Yan Zhou, Xiaoan Li, Qing Wang:
Molecular mechanism underlying radiation resistance in esophageal squamous cell carcinoma. 108666 - Sujata Makkar, Ajay Singh, Sudheer Kumar Annepu, Kiran Nehra:
Multilocus genetic and functional profiling of Indian-origin Lentinula edodes strains: Implications for cultivation and nutraceutical breeding. 108667 - Sanatan Das, Poly Karmakar:
AI modeling of Ag-ZnO milk dynamics in a squarely elevated electromagnetic tunnel with dynamic thermal modulation. 108668 - Maoxin Ran, Shao-Lin Zhang, Kin Y. Tam:
Identifying meaningful drug response biomarkers from public pharmacogenomic datasets with biologically informed interpretable neural networks. 108669 - Shuqiao Meng, Kai Qi, Panyi Shen, Shuwen Guo, Wenxia Tong:
The relationship between fear of negative evaluation and social anxiety in parents of children with ASD: The chain mediating role of perceived social support and coping styles. 108670 - Krishna Shevate, Rajagopal Kalirajan, Gowramma Byran, Apsara Unni, Justin Antony:
Targeting TNBC metastasis: In-silico identification of natural origin ROCK inhibitors via virtual screening, ADMET profiling, MM-GBSA, DFT, and molecular dynamics. 108671 - Madhesh Palanisamy, Gayathri Krishnamoorthy, Vidya Ravindran:
Deciphering synergistic interactions between Curcumin, Piperine, and milk proteins using accurate theoretical methods. 108672 - Kavita Kumari, Aakansha Singh, Anjana Dwivedi:
PTTG1 as a common promising target for PCOS, Ovarian Cancer, and Major Depressive Disorder patients. 108673 - Ilker Kiliccioglu, Ahmad Badreddin Musatat, Gorkem Dulger, Alparslan Atahan, Basaran Dulger, Mustafa Zengin:
Rational design, biological and in-silico evaluation of quinoline-chalcone hybrids: A new series of antimicrobial and anticancer agents. 108675 - Sareh Baqeri Matak, Elham Askari, Sara Motamed:
Diagnosis of leukemia using microarray analysis based on Hidden Markov Model and Random Convolutional Kernel Transform. 108676 - Ping-Huan Kuo, Eirene Du, Chiou-Jye Huang, Wei-Chuan Lan, Shu-Hung Chou, Ting-Chun Yao, Chao-Chung Peng:
Improvement of an eye disease detection model by using the denoising diffusion implicit model. 108677 - Yan Hong Ng, Muhamad Imam Muhajir, Khairul Azreena Bakar, Rani Maharani, Unang Supratman, Jalifah Latip, Murni Nazira Sarian, Su Datt Lam, Shevin Rizal Feroz:
Design, synthesis, and computational evaluation of ester prodrugs of isoguvacine as potential antiseizure medications. 108678 - Burcu Bosnali, Erdinç Türk, Tahir Saygin Ögüt, Mert Ünal, Taner Danisman, Hatice Yazisiz, Funda Erbasan, Mustafa Ender Terzioglu, Veli Yazisiz:
Effectiveness of artificial intelligence in classification of connective tissue diseases in patients with anti-nuclear antibody (ANA) positivity. 108679 - Shan Chen, Junsha Wang, Xinyu Huang, Kailin Chen, Limei Fu, Yuanzhao Ding:
Exploring biological research hotspots through a novel bibliometric approach. 108680 - Ahmed M. Abu-Dief, Eida S. Al-Farraj, Mohamed Abdel-Hameed, Nadiyah Alahmadi, Maher Fathalla, Abdullah Yahya Abdullah Alzahrani, Mashael A. Alghamdi, Aly Abdou:
Design and synthesis of tunable schiff base complexes from bis-(2-oxoindolin-3-ylidene)anthracene-9,10-dione: Integrated structural, biological, and molecular modeling insights. 108682 - Yeliz Demir, Halil Senol, Orhan Uluçay, Seyma Atesoglu, Feyzi Sinan Tokali:
Morpholine-modified thiosemicarbazones and thiazolidin-4-ones against Alzheimer's key enzymes: From synthesis to inhibition. 108683 - Uma K. V., Sarvika P, Jayaa Sri K, Lakshmi Aiswarya C:
MediFlora-Net: Quantum-enhanced deep learning for precision medicinal plant identification. 108674 - Dongmei Yu, Jiajia Li, Wenjing Ma, Yue Pei, Yingchao Qi, Tong Yu, Wenkai Li, Xiaohan Sun, Jingyan Zhang, Xuantonghe Li, Longyan Liang, Yunen Liu, Yichen Wang:
Development and validation of a breast cancer survival prediction model based on perioperative anesthesia-related drug target genes and analysis of immune microenvironment and drug sensitivity. 108681 - David H. Margarit, Gustavo Paccosi, Marcela V. Reale, Lilia M. Romanelli:
Unveiling cancer stem cell marker networks: A hypergraph approach. 108684 - Samanta Gambhir, Manjinder Singh:
Advancing Alzheimer's therapeutics via in silico strategies: Tideglusib based multi-target analogues. 108685 - Yara Raslan, Mushabab Asiri, Ahmed M. Maklad, Alaa Fahim:
Prognosis models for nasopharyngeal carcinoma recurrences by using tabu search algorithm. 108687 - Akanksha Singh, Shristi Modanwal, Abha Meena, Nidhi Mishra:
Unlocking the anticancer role of alpha-phellandrene via TRPM4 channel modulation in lung cancer. 108688 - Madhurima Mondal, Aditya Lahiri, Aniruddha Datta:
Targeting colorectal cancer liver metastasis through repurposing metabolic and immune inhibitors: A theoretical study. 108689 - Asra Fathima, Kannan Vadivel, Srikanth Jeyabalan, Srilekha Chintala, Naresh Dumala:
Methyl 2-(7-hydroxy-3-methyloctyl)-1,3-dimethyl-4-oxocyclohex-2-enecarboxylate as a natural and potent antitubercular lead: An in silico study integrating molecular docking, molecular dynamics, FMO, and DFT analyses. 108691 - Bharath Kumar Chagaleti, Arafat Toghan, Magdi E. A. Zaki, Ali Oubella, Reda A. Haggam:
Non-invasive breast cancer detection: Leveraging the potential of BN-doped C60 heterofullerene for formaldehyde sensing using DFT theory. 108692 - Pei Xu, Kai Zhong, Honghua Ge, Xiaoping Song, Weihua Wang:
Prediction of protein thermostability trends based on the self-attention mechanism driven sparse convolutional network. 108693 - Krupa Chary Pasunoori, Ch. Rajendra Prasad, K. Raj Kumar:
A systematic review on deep learning based brain tumor segmentation and detection using MRI: Past insights, present techniques and future trends. 108696 - Dishank Purandare, Prajakta Adsule, Rahul Jawarkar, Aryaa Nigade, Satish Polshettiwar:
Designing and computational studies of Novel 5-Fluorouracil hybrids as thymidylate synthase inhibitors for targeting non small cell lung cancer. 108697 - Chinenyenwa Fortune Chukwuneme, Samantha Gildenhuys:
Systems analysis of Berberis vulgaris alkaloids unveils their functional synergy and drug-like potential. 108698 - Zakia Messasma, Djouhra Aggoun, Mostefa Hani, Leila Ailane, Nada Hiba Boukoucha, Chawki Bensouici, Yasmina Ouennoughi:
In vitro antioxidant (spectrophotometric/electrochemical) and enzymatic activities of aniline derivative Schiff base: Experimental and computational assessment. 108699 - Weiyu Pan, Junli Cui, Su Tu, Bin Qian, Xiaoxia Liu, Xingping Zhu:
Ahnak and Nckap1l as potential diagnostic biomarkers and therapeutic targets in Landiolol-mediated sepsis treatment. 108700 - Ming Xie, Yufeng Zhang, Ming Zhao, Xiandeng Li, Yong Xue, Guobao Chen, Jia Liu, Haibing Hua:
Uncovering the therapeutic potential of Si-Miao-Yong-An decoction in abdominal aortic aneurysm: An integrative study combining network pharmacology, machine learning, molecular docking and dynamics simulation. 108701 - Duaa Mohammad Alawad, Ataur Katebi, Md. Tamjidul Hoque:
EnsembleRegNet: Interpretable deep learning for transcriptional network inference from single-cell RNA-seq. 108702 - Binsheng He, Yanyu Ma, Kun Wang, Pingping Bing, Lei Ji, Geng Tian, Haiyan Liu, Pingan He, Jialiang Yang:
Microbiome-transcriptome-histology triad enhances survival risk stratification in multiple cancers. 108703 - Haseena Beegum S, Manju R:
GAN-based novel feature selection approach with hybrid deep learning for heartbeat classification from ECG signal. 108704 - A. T. Subalakshmi, Arundhati Mahesh:
Machine learning approaches to predict drug resistance in tuberculosis. 108705 - B. Shyamala Gowri, S. Anu H. Nair, K. P. Sanal Kumar, S. Kamalakkannan:
MicroarrayCancerNet: Hybrid optimized deep learning with integration of graph CNN with 1D-CNN for cancer classification framework using microarray and seq expression data. 108706 - Sharon Munagalasetty, Samir Khan, Vitthal Kale, Vasundhra Bhandari:
In silico exploration of bioactive compounds targeting the CrtM to impede Staphylococcus aureus drug resistance: Pigment inhibitors. 108707 - Mohd Nazam Ansari, Abdulaziz S. Saeedan, Sara A. Aldossary:
Designing & screening of siRNA molecules for silencing the impact of the VEGF gene in cancer cells. 108708 - Taináh M. R. Santos, Artur G. Nogueira, Antônio P. L. Mesquita, Alexandre A. de Castro, Teodorico C. Ramalho:
In silico strategies for discovering and analyzing new molecules based on isocycloseram: Virtual screening, docking, molecular dynamics, MM/PBSA, and GABA receptor interactions. 108710 - Ali Muneer Abdulrahman, Dina Hadi Abdullah Alaqebe, Zainab Abdullah kareem, Eman Mohammed jasim, Mohammed Mahmood Abdullah, Alaa Hamid Faisal, Mustafa M. Kadhim:
Design and computational characterization of arginine-functionalized ZIF-8 as a pH-responsive oral insulin carrier. 108711 - Ibrahim Aruk, Ishak Paçal, Ahmet Nusret Toprak:
A comprehensive comparison of convolutional neural network and visual transformer models on skin cancer classification. 108713 - G. Loganathan, M. Palanivelan:
Ovarian cancer detection from mutual information-ranked clinical biomarkers using an explainable attention-based residual multilayer perceptron. 108714 - Zhihao Wang, Mujun Zang, Tong Liu, Shusen Zhou, Chanjuan Liu, Qingjun Wang:
GDT-Net: Multi-level feature extraction network for precise diagnosis of atrial and ventricular fibrillation. 108715 - Vaidehi P. Thakore, Sai Swetha Uppalapati, Sivakumar Prasanth Kumar, Amit Mandoli, Prabhudas S. Patel, Nayan K. Jain:
Computational and experimental investigation of Kaempferol and Quercetin as potential inhibitors of MMP1 in oral cancer. 108716 - Rakesh Meher, Rajesh Kumar Meher, Trupti Rekha Swain, Vijaya Kumar Meher, Santosh Kumar Ranajit:
Comparative analysis of traditional and modern epigenetic therapies for diabetes associated cognitive decline. 108717 - Ayesha Amin, Shanzay Fatima, M. Kashif Aslam, Mustapha Belaidi, Shabana Bibi, Salah W. Bufarwa, Sadia Zahid, Ghadeer Mohsen Albadrani, Rawan Altalhi, Amany A. Sayed, Mohamed M. Abdel-Daim:
In silico identification of a prognostic gene signature and virtual screening for hepatocellular carcinoma. 108718 - Kakudji Kisimba, Rukayat Abiola Abdulsalam, Elliasu Y. Salifu, Saheed Sabiu, Mbuso Faya:
An integrated computational bioprospection of flavonoids as modulators of Mycobacterium tuberculosis decaprenylphosphoryl-β-d-ribose-2′-epimerase 1. 108719 - Kai Deng, Kuai Yu, Yunyao Wei, Faming Wang, Ying Mei, Shuwen Han, Qiang Yan:
Integrated strategy of serum metabolomics, network pharmacology and experimental validation on revealing the bioactive metabolites and mechanism of Lycium ruthenicum Murr. against colorectal carcinoma. 108721 - Taimoor Riaz, Sumbal Rasheed, Muhammad Zubair:
Integrative genomic and transcriptomic profiling identifies HSPA5 as a central player in hepatocellular carcinoma pathogenesis. 108722 - Kunbo Wu, Jia Zheng, Ying Zhang, Cangzhi Jia:
Optimized ensemble learning with multi-feature fusion for enhanced anti-inflammatory peptide prediction. 108723 - Muhammad Farman, Izhar Ullah, Evren Hincal, Kottakkaran Sooppy Nisar, Kamyar Hosseini, Aceng Sambas:
Stability and dynamics of fractional order frogeye leaf spot infection model with fungal density function. 108724 - Ke Guo, Ping Huang, Jiasheng Zhang, Bo Zhang, Linyang Li, Jiaxin Li:
Using glucocorticoid receptor-related genes to create and validate a survival model predicting gastric cancer. 108726 - Ali Gholamianmoghaddam, Atchimnaidu Siriki, Fahima Afroja, Siva Murru:
Discovery of pyrazole derivatives as promising leads against NSCLC: An integrated computational and experimental approach. 108728 - Sukanya Borthakur, Prasanna Sarmah, Masoom Saikia, Richa Dhakal, Dipanneeta Das Gupta, Jatin Kalita, Jitendra Singh Verma, Prachurjya Dutta:
Computational insights into insect-derived semiochemicals from Formicidae family as potential JAK1 inhibitors: Virtual screening and molecular dynamics studies. 108730 - Prathima Iengar, Prasanna Venkatraman:
Using the Reactome Graph Database to generate pathway fingerprints for cancer-related genes, and using the fingerprints to gain insights into cancer, comorbidity, and cancer gene networks. 108686 - Jiaqi Meng, Shitian Li, Xiao Shao, Chi Zhang, Shurong Li, Xiaochao Li, Xinyue Ge, Chenlu Yuan, Junchi Rong, Panyang Xiong, Haoquan Shi, Yuguang Chu, Yuanhui Hu:
Integrating network pharmacology and multidimensional bioinformatics: Mechanistic exploration of six food and medicine homology plants in coronary heart disease therapy. 108694 - R. Sandhiya, R. Sasikumar:
A novel Convolutional Shuffle Attention Xtreme Gradient Boost Network for improved lung cancer detection using computed tomography images. 108695 - Abderrahim Ait Ouchaoui, Salah Eddine el Hadad, El Mehdi Bouricha, Saber Boutayeb, Lahcen Belyamani, Ilhame Bourais:
Computational discovery of resiniferatoxin and euphol as potential androgen receptor inhibitors for prostate cancer therapy. 108709 - Yuchen Wang, Xingjian Chen, Xiangtao Li, Ka-Chun Wong:
scREPA: Predicting single-cell perturbation responses with cycle-consistent representation alignment. 108712 - Asli Alkan, Hasan Bulut:
The numerical analysis of Caputo-Fabrizio fractional mathematical model of Cancer Chemotherapy. 108720 - Muhammad Adnan, Yi Yang, Arnab Kumar Biswas, Sohrab Khan:
Hybrid CNN-GRU-XGBoost framework for optimized coronary artery disease diagnosis and risk stratification. 108725 - Hari Krishna Kalidindi, N. Srinivasu:
Deep ensemble model with blockchain technology for lung cancer detection with secured data sharing. 108729 - Shujia Wei, Wei Yang, Lei Zhang:
Inter-chain contact prediction based on Mamba and triangular geometric constraints. 108731 - Milica Mihajlovic, Irena Conic, Ana Cvetanovic, Ivan Petkovic, Ljubomir Dinic, Vesna Dinic, Aleksandar M. Veselinovic:
Design and evaluation of dual c-Met/β-tubulin inhibitors for triple-negative breast cancer: An In Silico approach. 108732 - Suman Sinha, Ram Kumar, Km Shainda:
Distinct signatures of molecular recognition of AXL kinase by varied classes of inhibitors examined through biomolecular simulations. 108733 - Yue Cheng, Jianbo Qiao, Siqi Chen, Leyi Wei, Guangmin Liang:
TK-DDI: Accurate and efficient drug-drug interaction prediction via token encoding. 108734 - Xiang Lu, Yue Feng, Xudong Jia, Tao Chen:
Multi-label tongue image classification via label semantics-driven feature interaction enhancement. 108735 - Hafsath C. A., A. S. Jereesh:
PerturbSynX: Deep learning framework for predicting drug combination synergy scores using drug induced gene perturbation data. 108736 - Mahendra Gaur, Rudra Narayan Dash, Bharat Bhusan Subudhi:
Identification of sulfonamide drugs as allosteric inhibitor of Chikungunya virus envelope glycoprotein: An in silico approach for drug repurposing. 108737 - Srilakshmi Cherukuri, Srisailapu D. Vara Prasad:
A clinical decision support system for skin cancer classification using fractional gooseneck barnacle-enabled ensemble classifier. 108738 - P. S. Yogitha, M. R. Suchitra:
Fortified tofu red banana peel as a nutritional modulator: Computational and molecular insights into food-drug interactions and genetic targets in autism spectrum disorder. 108739 - Sara Mortezaali, Fatemeh Ebrahimi Tarki, Mahboobeh Zarrabi:
Comparative in silico analysis identifies potent natural and synthetic peptide candidates for targeting SARS-CoV-2 viral proteins. 108740 - Inamullah Khan, Obaid-ur-Rahman Abid, Wajid Rehman, Thoraya A. Farghaly, Asma Sardar, Saima Daud, Naveed Iqbal, Saddam Hussain, Yousaf Khan, Mujeeb Ul Naeem:
New thiazine derivatives with dual potential for lipoxygenase inhibition and hemolytic activity: Synthesis, characterization and molecular docking studies. 108741 - Yanggang Hong:
Uncovering novel protein pathways regulating bioavailable testosterone through sex hormone-binding globulin. 108742 - Jingshuai Wang, Jinmiao Song, Hui Zhai, Xu Wang, Mingxuan Li:
LHRCDA: Predicting associations between circRNA and drug sensitivity via learnable hypergraph reconstruction. 108743 - Ismail Soltani, Wael Bahia, Hajer Bougatef, Chaker Slaymi, Yosra Hasni, Wassim Y. Almawi, Salima Ferchichi:
Integrative multi-omics analysis of long non-coding RNA regulatory networks in chronic myeloid leukemia resistance and leukemic stem cell persistence. 108744 - Maryam Sadeghi, Bahram Khoshnevisan:
FU drug delivery enhancement by Ti or C vacancy defects of Ti3C2 MXene nanosheets carriers. 108745 - Hua Shi, Ding Yi, Yang Cui, Ruheng Wang, Yan Li, Chunyan Ao, Ruihua Guo, Weihang Zhang, Tao Peng, Yuying Le, Yaxuan Cui, Leyi Wei:
DiffuScope: A diffusion-regularized autoencoder for spatial transcriptomic clustering. 108746 - Priya Prakasam, Thripthi Nagesh Shenoy, Abdul Ajees Abdul Salam, Syed Ibrahim Basheer Ahamed:
Computational insights into TLR4/MD2 interactions with dengue NS1 proteins: Serotype-specific binding and immune response. 108747 - Muhammad Awais, Tayyab Nawaz, Abu Safyan Ali, Iftikhar Ahmed:
Numerical approximation of fractional order HIV/AIDS model with treatment using Levenberg-Marquardt backpropagation approach. 108748 - Shivam Kumar, Devvrat Pandey, Samrat Chatterjee:
Introducing feature identification and refinement engine (FIRE) for identifying consistent and informative gene signature. 108749 - Li Ruiping, Wang Yafeng, Li Liuyun, Li Xingyao, Gao Qi, Zhang Tao, Wu Xili, Wang Sicen, Peng An:
Pharmacological and bioinformatics analysis reveals the reno-protective mechanisms of Zhenwu Decoction in chronic kidney disease. 108750 - Niyati Buch, Bhavika Gambhava:
Survey on phylogenetic tree construction using machine learning. 108751 - Ling-Yun Dai, Cheng-Long Mi, Xu Wang, Junliang Shang, Feng Li, Juan Wang, Rong Zhu:
A multi-source similarity fusion method based on hypergraph convolutional networks and graph transformers for predicting miRNA-disease associations. 108752 - Lurao Ji, Xiaoqin Li, Bin Gao:
Comprehensive multi-omics data to construct hepatocellular carcinoma pathway subtypes and classification model. 108753 - Bouchagra Samah, Elhafnaoui Lanez, Mohammed Larbi Benamor, Yahia Bekkar, Salah Neghmouche Nacer, Lotfi Bourougaa, Rania Bouraoui, Stefania Garzoli, Touhami Lanez:
GC/MS analysis and computational evaluation of C. cinerea EO constituents for colorectal cancer: Molecular docking, dynamics, and quantum chemical insights into Cis-Verbenyl acetate. 108754 - Muhammed Ali Pala:
XP-GCN: Extreme learning machines and parallel graph convolutional networks for high-throughput prediction of blood-brain barrier penetration based on feature fusion. 108755 - Salba, Zubera Naseem, Ali Raza Ayub, Saher Mubeen Arshed, Fatima Afzal, Sandila Arif, Usama Raza, Sadia Zubair, Khadija Arif, Hira Hamid:
Carbon nanocone oxide-mediated controlled interaction to increase Favipiravir's bioavailability: An extensive in silico research. 108756 - Zia Ullah Khan, Mati ur Rahman:
Dynamical analysis of a fractional Maize Streak Disease model with enhanced predictive capabilities. 108758 - Reshma V. Kizhakethil, Ashok K. Varma, Om V. Bhogale, Manasvi A. Joshi, Sagar H. Barage, Aruni Wilson Santhosh Kumar, Shashank S. Kamble:
Conformational dynamics and energetic perturbations in human β-spectrin-II mediated by calpain cleavage-related mutations: Insights from enhanced sampling simulations. 108759 - Ku Umeshkumar, Rekha Karwasra:
Zoonoticus: A machine learning model for genomic prediction of zoonotic bacterial strains using virulence, resistance, and mobile genetic elements. 108760 - Kaixi Deng, Feng Guo:
Beyond structural bias: Improving circRNA-disease association prediction with Multi-Hop Neighborhood Hierarchical Fusion. 108762 - Anh Hung Nguyen, Anh Tuan Do, Nguyen Ngoc Linh, Minh Quan Pham, Son Tung Ngo, Thi-Kim-Dung Le:
Searching for potential xanthine oxidase inhibitors from Vietnamese herb plants via computational studies. 108763 - Yannan Fan, Weiguo Wang, Yunnan Zhang:
Integrated single-cell and transcriptional analysis of neutrophil migrasome-associated gene mechanisms in ARDS. 108764 - Amel Gacem, Raya Soltane, Shivraj Gangadhar Wanale, Salman Arafath Mohammed, Nuha Almulla, Lienda Bashier Eltayeb, Maha Awjan Alreshidi, Ahlam Alasiri, Ghadah Shukri Albakri, Urmila Raghuvanshi, Waleed Al Abdulmonem, Maytham T. Qasim, Rupesh Gupta, Saiful Islam, Krishna Kumar Yadav:
Advances in molecular methodologies and nanotechnology-enabled drug delivery in biomedicine: An overview of current progress. 108765 - Dona Kundu, Sanatan Das, Poly Karmakar:
Intelligent predictive biomechanics of intensely magnetized microbial penta-hybrid nano-blood in an electrified endoscopic ciliated artery. 108766 - Ali Tarighatnia, Masoud Amanzadeh, Leili Darvish, Azadeh Amraee, Morteza Ghojazadeh, Ayuob Aghanejad:
Radiosensitivity enhancement of bismuth-based nanoparticles in radiotherapy: A systematic review and meta-analysis. 108767 - Pooja Mathur, Kanika Goyal, Ajay Pal Singh, Anu Gauba, Ritu Dahiya:
Omics-driven insights and microarray applications in drug discovery and development. 108768 - Atanu Mondal, Subhajit Kar, Madhabi Ganguly:
Classification of coding and non-coding regions in eukaryotic gene sequences using an adaptive anti-notch filter designed using hybrid Salp SwarmWhale algorithm incorporating a modified error function. 108770 - Mikolaj Bieganski, Marius Bidon, Monika Karpinska, Radoslaw Rola, Joanna Matysiak, Andrzej Niewiadomy, Monika Szeliga:
1,2,4-triazole incorporated into polyheterocyclic scaffolds as anti-glioblastoma agents: Biological evaluation and molecular modeling studies. 108771 - Sharath Thoniyot, Vijayakumar Balakrishnan:
Integrating multi-omics data for personalized nutrition using knowledge graphs and graph neural networks: A comprehensive review. 108772 - Hunniya Sabir, Muhammad Shahzad, Sohail Akhtar, Yasser Elmasry, Faisal Sultan, Salah Knani:
Efficient dimensional and computational reduction of lactate dehydrogenase (LDH) system by integrating QSSA, CSP, fast-slow dynamics and visualization: A framework using MATLAB SimBiology and Simulink. 108773 - Abdul Jamil Khan, Shad Man, Faheem Ahmed Khan, Shahid Ullah Khan:
MRPL55 promotes BC progression as a prognostic biomarker by modulating lipogenesis and cyclin-dependent kinase pathways, from multi-omics to drug repurposing. 108775 - Shuqiao Meng, Shuwen Guo, Zihe Huang, Zhiyuan Sun, Shanshan Han, Yahui Han, Wenxia Tong, Kai Qi:
Research hotspots and trend analysis of motor dysfunction in children with autism spectrum disorder based on CiteSpace. 108776 - Yiheng Du, Khandaker Asif Ahmed, Himadri Shekhar Mondal, Md. Zakir Hossain:
Ligand-based prediction of anti-bacterial compounds: Overcoming class imbalance in molecular data. 108778 - Walter de Barros Gomes Netto, Saed Silva Sousa, Sofia Mayumi Brandao Nakamaru, Hellen Kempfer Philippsen, Denis de Castro Silva, Deriks Karlay Dias Costa, Ana Carolina Favacho Miranda de Oliveira, Rafael A. Baraúna, Diego Assis das Graças, Artur Silva, Adonney Allan de Oliveira Veras:
PanGeneWhale - A dockerized Kotlin-based GUI platform for reproducible and user-friendly pangenomic analysis. 108779 - Xiaoyong Liu, Zhuhui Tan, Peikang Tang, Pei Lu, Xi Lu:
Research on a novel gene sequence prediction and homomorphic encryption method based on Mamba-VMD. 108780 - Jianshu Yu, Xiuyun Li, Wenqiang Liu:
Bioinformatic analysis and experimental validation of mitochondria-related genes as novel biomarkers for moyamoya disease. 108781 - Yuan Chai, Feng Chen, Hua Liu, Zixin Wang, Yongjin Li, Zhengpeng Li, Hao Zeng, Jintao Liu, Xiaoyun Zhang:
Computational simulation and experimental study on the mechanism of yishen gushu formula in treating osteoporosis. 108782 - Damilola A. Omoboyowa, Temitope C. Aribigbola, Babasola Aiyeku, Damilola S. Bodun, Oluwatoba E. Oyeneyin:
Deep learning and molecular dynamics reveal promising EZH2 inhibitors for epigenetic cancer targeting. 108784 - Ángel Parra-Sánchez, Alba Román-Vallina, Eduardo Fernández, Gema Martinez-Navarrete:
Computational modeling of anti-VEGFA drug interactions with VEGF-A: Insights into therapeutic strategies for neovascular AMD. 108788
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