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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
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