AIMC Topic: Software

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Learned protein embeddings for machine learning.

Bioinformatics (Oxford, England)
MOTIVATION: Machine-learning models trained on protein sequences and their measured functions can infer biological properties of unseen sequences without requiring an understanding of the underlying physical or biological mechanisms. Such models enab...

NMRNet: a deep learning approach to automated peak picking of protein NMR spectra.

Bioinformatics (Oxford, England)
MOTIVATION: Automated selection of signals in protein NMR spectra, known as peak picking, has been studied for over 20 years, nevertheless existing peak picking methods are still largely deficient. Accurate and precise automated peak picking would ac...

CoABind: a novel algorithm for Coenzyme A (CoA)- and CoA derivatives-binding residues prediction.

Bioinformatics (Oxford, England)
MOTIVATION: Coenzyme A (CoA)-protein binding plays an important role in various cellular functions and metabolic pathways. However, no computational methods can be employed for CoA-binding residues prediction.

Cost function network-based design of protein-protein interactions: predicting changes in binding affinity.

Bioinformatics (Oxford, England)
MOTIVATION: Accurate and economic methods to predict change in protein binding free energy upon mutation are imperative to accelerate the design of proteins for a wide range of applications. Free energy is defined by enthalpic and entropic contributi...

ComplexContact: a web server for inter-protein contact prediction using deep learning.

Nucleic acids research
ComplexContact (http://raptorx2.uchicago.edu/ComplexContact/) is a web server for sequence-based interfacial residue-residue contact prediction of a putative protein complex. Interfacial residue-residue contacts are critical for understanding how pro...

WEGO 2.0: a web tool for analyzing and plotting GO annotations, 2018 update.

Nucleic acids research
WEGO (Web Gene Ontology Annotation Plot), created in 2006, is a simple but useful tool for visualizing, comparing and plotting GO (Gene Ontology) annotation results. Owing largely to the rapid development of high-throughput sequencing and the increas...

PANNZER2: a rapid functional annotation web server.

Nucleic acids research
The unprecedented growth of high-throughput sequencing has led to an ever-widening annotation gap in protein databases. While computational prediction methods are available to make up the shortfall, a majority of public web servers are hindered by pr...

DLBI: deep learning guided Bayesian inference for structure reconstruction of super-resolution fluorescence microscopy.

Bioinformatics (Oxford, England)
MOTIVATION: Super-resolution fluorescence microscopy with a resolution beyond the diffraction limit of light, has become an indispensable tool to directly visualize biological structures in living cells at a nanometer-scale resolution. Despite advanc...

Onto2Vec: joint vector-based representation of biological entities and their ontology-based annotations.

Bioinformatics (Oxford, England)
MOTIVATION: Biological knowledge is widely represented in the form of ontology-based annotations: ontologies describe the phenomena assumed to exist within a domain, and the annotations associate a (kind of) biological entity with a set of phenomena ...

Modeling polypharmacy side effects with graph convolutional networks.

Bioinformatics (Oxford, England)
MOTIVATION: The use of drug combinations, termed polypharmacy, is common to treat patients with complex diseases or co-existing conditions. However, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient. Po...