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(orthogonal vs. non-orthogonal). University: Faculty of Chemical Technology, UCT Prague; Faculty of Science, Charles University Group: Jiří Kaleta Group, Molecular Devices Tutor: Mgr. Jiří Kaleta, Ph.D
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developing new methods. These include machine-learning based approaches to identify deoxyribozyme variants with new phenotypes. University: Faculty of Science, Charles University Group: Edward Curtis Group
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few years have focused on the generation of machine-learning force fields for biological molecules, such as SpookyNet or AI2BMD. These offer the accuracy of quantum-chemical methods with many orders
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chemistry and accurate machine-learned oligopeptide potentials with applications in structural and evolutionary biology. First, we will develop a new computational tool, denoted as QMLFold. This would allow