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Phytochemicals from Bacopa monnieri as small molecule modulators of MARK4: A multi-modal strategy for preventing Alzheimer's disease-causing tau aggre
Journal of Molecular Graphics & Modelling
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ConfRank+: Extending Conformer Ranking to Charged Molecules
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Identifying students’ metacognition patterns by their needs for cognitive closure in human-GenAI collaboration
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Targeting neurodegeneration: three machine learning methods for G9a inhibitors discovery using PubChem and scikit-learn
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Decoding Protein Stabilization: Impact on Aggregation, Solubility, and Unfolding Mechanisms
Journal of Chemical Information and Modeling
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Design tool for tow-steered composite laminates in Abaqus and MSC.Patran/Nastran
Advances in Engineering Software
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De Novo Design of Multiple Microplastic-Binding Peptides with a Protein Language Model-Guided Generative Adversarial Network
Journal of Chemical Information and Modeling
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A unified graph-based approach for protein function prediction using AlphaFold structures and sequence features
Computational Biology and Chemistry
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Machine learning driven identification of therapeutic phytochemicals targeting Hepatocellular carcinoma
Computational Biology and Chemistry
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Large language model driven multiple operating conditions identification and predictive control
Applied Soft Computing
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