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ORCIDComputational Biology and Chemistry, Volume 118
Volume 118, 2025
- Jehad Zuhair Tayyeb, Imren Bayil, Taha Alqahtani, Gabriel Vinícius Rolim Silva, Guilherme Bastos Alves
, Al-Anood M. Al-Dies, Abdelkrim Guendouzi, Jonas Ivan Nobre Oliveira, Magdi E. A. Zaki:
Identification of Therapeutic Compounds Targeting Phosphatidylinositol 3-Kinase (PI3K) Through Molecular Docking, Dynamics Simulation, and DFT Calculations. 108433 - Watshara Shoombuatong, Saeed Ahmed, S. M. Hasan Mahmud, Nalini Schaduangrat:
A comprehensive review and evaluation of machine learning-based approaches for identifying tumor T cell antigens. 108440 - Gayathri Krishnamurthy Ganga:
Accelerating drug discovery targeting dihydroorotate dehydrogenase using machine learning and generative AI approaches. 108443 - Orkid Coskuner-Weber, Semih Alpsoy, Ozgur Yolcu, Egehan Teber, Ario de Marco, Spase Shumka:
Metagenomics studies in aquaculture systems: Big data analysis, bioinformatics, machine learning and quantum computing. 108444 - Elkin Sanabria-Chanaga, Edwin L. Bonilla-Rozo:
Insights from computational studies about structural determinants of steroidal inhibitors in 5-alpha-reductase type II. 108446 - Sri Mounika Bellapukonda, Siva Singothu, Anuradha Singampalli, Rani Bandela, Pardeep Kumar, Venkata Madhavi Yaddanapudi, Vasundhra Bhandari, Srinivas Nanduri, Mohamed Enneiymy, Mohamed Fahad AlAjmi, Ali Oubella:
Exploring spirocyclic isoquinoline-piperidine compounds in tuberculosis therapy: ADMET profiling, docking, DFT, MD simulations, and MMGBSA analysis. 108447 - Ruiqi Liu, Shankai Yan, Zilong Zhang, Junlin Xu, Yajie Meng, Qingchen Zhang, Leyi Wei, Quan Zou, Feifei Cui:
PLM-IL4: Enhancing IL-4-inducing peptide prediction with protein language model. 108448 - Xudong Lü, Chenyu Wang, Mengjia Tang, Jing Li, Zhiyong Xia, Shuai Fan, Yuanyuan Jin, Zhaoyong Yang:
Pinpointing potent hits for cancer immunotherapy targeting the TIGIT/PVR pathway using the XGBoost model, centroid-based virtual screening, and MD simulation. 108450 - Santhiya Panchalingam, Govindaraju Kasivelu:
Harnessing marine bioactive compounds: In silico insights into therapeutics for rheumatoid arthritis and major depressive disorder. 108452 - Anmol Kulshrestha, Pratima Gupta:
Multi-computational screening identifies homovanillic acid as a potential SAP5 inhibitor against Candida albicans biofilms. 108453 - Sanjay Gopi, S. Madesh, Karthikeyan Ramamurthy, Mikhlid H. Almutairi, Bader O. Almutairi, S. Karthick Raja Namasivayam, Jesu Arockiaraj:
Black seed (Nigella sativa) extract enhances early and late apoptosis through activation of caspase-3 mediated regulatory pathway in LC540 cells: A network pharmacological and molecular docking approach. 108455 - Smritilekha Das, Padmanaban Kuppan:
Incremental learning for acute lymphoblastic leukemia classification based on hybrid deep learning using blood smear image. 108456 - Jianjian Zhong, Xiaohua Fan:
Chinese herbal extract Astragalus radix potentiates human ovarian cancer cell cytotoxicity by aggravated ROS production and apoptosis. 108457
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