MOTIVATION: Quality assessment (QA) of predicted protein tertiary structure models plays an important role in ranking and using them. With the recent development of deep learning end-to-end protein structure prediction techniques for generating highl...
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Jan 1, 2023
Identifying effective target-disease associations (TDAs) can alleviate the tremendous cost incurred by clinical failures of drug development. Although many machine learning models have been proposed to predict potential novel TDAs rapidly, their cred...
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Jan 1, 2023
Although protein sequence data is growing at an ever-increasing rate, the protein universe is still sparsely annotated with functional and structural annotations. Computational approaches have become efficient solutions to infer annotations for unlab...
MOTIVATION: Protein essentiality is usually accepted to be a conditional trait and strongly affected by cellular environments. However, existing computational methods often do not take such characteristics into account, preferring to incorporate all ...
Protein science : a publication of the Protein Society
Jan 1, 2023
The availability of accurate and fast artificial intelligence (AI) solutions predicting aspects of proteins are revolutionizing experimental and computational molecular biology. The webserver LambdaPP aspires to supersede PredictProtein, the first in...
MOTIVATION: Gaining structural insights into the protein-protein interactome is essential to understand biological phenomena and extract knowledge for rational drug design or protein engineering. We have previously developed DeepRank, a deep-learning...
MOTIVATION: Compound-protein interaction (CPI) plays an essential role in drug discovery and is performed via expensive molecular docking simulations. Many artificial intelligence-based approaches have been proposed in this regard. Recently, two type...
MOTIVATION: As more data of experimentally determined protein structures are becoming available, data-driven models to describe protein sequence-structure relationships become more feasible. Within this space, the amino acid sequence design of protei...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2023
Novel design of proteins to target receptors for treatment or tissue augmentation has come to the fore owing to advancements in computing power, modeling frameworks, and translational successes. Shorter proteins, or peptides, can offer combinatorial ...
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