AIMC Topic: Protein Binding

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Prediction of protein-protein interaction sites from weakly homologous template structures using meta-threading and machine learning.

Journal of molecular recognition : JMR
The identification of protein-protein interactions is vital for understanding protein function, elucidating interaction mechanisms, and for practical applications in drug discovery. With the exponentially growing protein sequence data, fully automate...

Constructing query-driven dynamic machine learning model with application to protein-ligand binding sites prediction.

IEEE transactions on nanobioscience
We are facing an era with annotated biological data rapidly and continuously generated. How to effectively incorporate new annotated data into the learning step is crucial for enhancing the performance of a bioinformatics prediction model. Although m...

Some remarks on prediction of protein-protein interaction with machine learning.

Medicinal chemistry (Shariqah (United Arab Emirates))
Protein-protein interactions (PPIs) play a key role in many cellular processes. Uncovering the PPIs and their function within the cell is a challenge of post-genomic biology and will improve our understanding of disease and help in the development of...

Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR).

Methods in molecular biology (Clifton, N.J.)
This chapter focuses on the fingerprint-based artificial neural networks QSAR (FANN-QSAR) approach to predict biological activities of structurally diverse compounds. Three types of fingerprints, namely ECFP6, FP2, and MACCS, were used as inputs to t...