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    Generative AI for drug discovery and protein design: the next frontier in AI-driven molecular science by Uddalak Das

    Published 2025-09-01
    “…Furthermore, we survey advancements in graph-based molecular generative frameworks, LLM-guided protein sequence modeling, and diffusion-based structural prediction pipelines (e.g., RFdiffusion, FrameDiff), which have demonstrated state-of-the-art performance in de novo protein engineering and conformational sampling. …”
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    First-Principle Study of Optical Properties in Erbium-Doped Fibres for Enhanced Optical Signal Amplification by Umaru B Machu, Haruna Ali, Mohammed Y Onimisi, Joshua A Owolabi, Christiana O Akusu, Hassan G Muhammad, Ugbe R Ushiekpan, Abubakar Dalhat, Stephen C Nnochin, Alhassan Shuaibu, Isaac H Daniel

    Published 2025-05-01
    “…These findings demonstrate how Er-doping can alter SiO2's optical response and emphasize the value of TDDFPT in connecting optical behaviour to defect patterns. This study advances the logical design of silica-based optoelectronic devices and offers a theoretical foundation for enhancing defect engineering in wide-gap semiconductors.…”
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  7. 2047

    A Hybrid RBF-PSO Framework for Real-Time Temperature Field Prediction and Hydration Heat Parameter Inversion in Mass Concrete Structures by Shi Zheng, Lifen Lin, Wufeng Mao, Yanhong Wang, Jinsong Liu, Yili Yuan

    Published 2025-06-01
    “…Validated through multi-sensor field data, this work advances computational intelligence applications in thermomechanical systems, offering a robust paradigm for parameter inversion in large-scale concrete structures and multi-physics coupling problems.…”
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