يعرض 1 - 20 نتائج من 29 نتيجة بحث عن '(( lines based proteins optimization algorithm ) OR ( binary basic based optimization algorithm ))*', وقت الاستعلام: 0.74s تنقيح النتائج
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    Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential حسب Fengyang Han (14613218)

    منشور في 2023
    "…In this study, we systematically studied the energy distribution of bioactive conformations of small molecular ligands in their conformational ensembles using ANI-2X, a machine learning potential, in conjunction with one of our recently developed geometry optimization algorithms, known as a conjugate gradient with backtracking line search (CG-BS). …"
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    Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential حسب Fengyang Han (14613218)

    منشور في 2023
    "…In this study, we systematically studied the energy distribution of bioactive conformations of small molecular ligands in their conformational ensembles using ANI-2X, a machine learning potential, in conjunction with one of our recently developed geometry optimization algorithms, known as a conjugate gradient with backtracking line search (CG-BS). …"
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