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Molecular Diversity|August 19, 2025
Design and optimization of novel succinate dehydrogenase inhibitors against agricultural fungi based on transformer modelYuan Zhang, Jianqi Chai, Ling Li, et al.
Molecular Diversity|June 18, 2025
Unraveling the binding mechanism of olanzapine with human serum transferrin: a multispectroscopic and computational investigationAleksandar Djurović, Emina Mrkalić, Žiko Milanović, et al.
Molecular Diversity|June 13, 2025
Quinazolinone based broad-spectrum antiviral molecules: design, synthesis, in silico studies and biological evaluationAbdallah E Abdallah, Omkulthom Al Kamaly, Esmail M El-Fakharany, et al.
Molecular Diversity|June 16, 2025
Chemometric modeling, inverse docking, and molecular simulations-driven design for multilayered prioritization of novel leishmanicidal agents based on a 2-aminobenzimidazole scaffoldArpita Biswas, Arnab Bhattacharjee, Supratik Kar, et al.
Molecular Diversity|June 11, 2025
Advancing the development of deep learning and machine learning models for oral drugs through diverse descriptor classes: a focus on pharmacokinetic parameters (Vdss and PPB)Rakesh Bantu, Samiron Phukan, Simon Haydar
Molecular Diversity|June 23, 2025
Structure-based screening of small-molecule interleukin-23 inhibitors inspired by monoclonal antibody interactionsKhac-Minh Thai, Thi-Thanh-Thao Vu, Quang-Minh Mai, et al.
Molecular Diversity|June 19, 2025
Development of a novel multi-epitope vaccine against Ureaplasma urealyticum infection through reverse vaccinology approachLinglan Xu, Nan Xie, Yiqin Liu, et al.
Molecular Diversity|June 22, 2025
Design, synthesis and antitumor activity of thiadiazole derivatives as novel ALK kinase inhibitorsYiwen Huo, Qinjiang Zhou, Cheng Zhang, et al.
Molecular Diversity|June 23, 2025
Drug repurposing for renin inhibition: identifying panobinostat for hypertension managementNisha Bansal, Mohammad Khalid Parvez, M Arockia Babu, et al.
Molecular Diversity|June 21, 2025
Computational mechanistic insight of fungal metabolites for novel acetylcholinesterase inhibitorsHadeel Alyenbaawi, Mohammed Alsaweed, Qazi Mohammad Sajid Jamal, et al.
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