AIMC Topic: Models, Chemical

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Artificial neural networks for dihedral angles prediction in enzyme loops: a novel approach.

International journal of bioinformatics research and applications
Structure prediction of proteins is considered a limiting step and determining factor in drug development and in the introduction of new therapies. Since the 3D structures of proteins determine their functionalities, prediction of dihedral angles rem...

Prediction of bioactive peptides using artificial neural networks.

Methods in molecular biology (Clifton, N.J.)
Peptides are molecules of varying complexity, with different functions in the organism and with remarkable therapeutic interest. Predicting peptide activity by computational means can help us to understand their mechanism of action and deliver powerf...

A general ANN-based multitasking model for the discovery of potent and safer antibacterial agents.

Methods in molecular biology (Clifton, N.J.)
Bacteria have been one of the world's most dangerous and deadliest pathogens for mankind, nowadays giving rise to significant public health concerns. Given the prevalence of these microbial pathogens and their increasing resistance to existing antibi...