AIMC Topic: Proteins

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Co-evolutionary distance predictions contain flexibility information.

Bioinformatics (Oxford, England)
MOTIVATION: Co-evolution analysis can be used to accurately predict residue-residue contacts from multiple sequence alignments. The introduction of machine-learning techniques has enabled substantial improvements in precision and a shift from predict...

Graph representation learning for structural proteomics.

Emerging topics in life sciences
The field of structural proteomics, which is focused on studying the structure-function relationship of proteins and protein complexes, is experiencing rapid growth. Since the early 2000s, structural databases such as the Protein Data Bank are storin...

Decoding the effects of synonymous variants.

Nucleic acids research
Synonymous single nucleotide variants (sSNVs) are common in the human genome but are often overlooked. However, sSNVs can have significant biological impact and may lead to disease. Existing computational methods for evaluating the effect of sSNVs su...

PhosIDN: an integrated deep neural network for improving protein phosphorylation site prediction by combining sequence and protein-protein interaction information.

Bioinformatics (Oxford, England)
MOTIVATION: Phosphorylation is one of the most studied post-translational modifications, which plays a pivotal role in various cellular processes. Recently, deep learning methods have achieved great success in prediction of phosphorylation sites, but...

DTI-Voodoo: machine learning over interaction networks and ontology-based background knowledge predicts drug-target interactions.

Bioinformatics (Oxford, England)
MOTIVATION: In silico drug-target interaction (DTI) prediction is important for drug discovery and drug repurposing. Approaches to predict DTIs can proceed indirectly, top-down, using phenotypic effects of drugs to identify potential drug targets, or...

Applying and improving AlphaFold at CASP14.

Proteins
We describe the operation and improvement of AlphaFold, the system that was entered by the team AlphaFold2 to the "human" category in the 14th Critical Assessment of Protein Structure Prediction (CASP14). The AlphaFold system entered in CASP14 is ent...

[Protein modeling and design based on deep learning].

Sheng wu gong cheng xue bao = Chinese journal of biotechnology
The accumulation of protein sequence and structure data allows researchers to obtain large amount of descriptive information, simultaneously it poses an urgent need for researchers to extract information from existing data efficiently and apply it to...

Minding the gaps: The importance of navigating holes in protein fitness landscapes.

Cell systems
Machine-learning-guided protein design is rapidly emerging as a strategy to find high-fitness multi-mutant variants. In this issue of Cell Systems, Wittman et al. analyze the impact of design decisions for machine-learning-assisted directed evolution...

Improved protein contact prediction using dimensional hybrid residual networks and singularity enhanced loss function.

Briefings in bioinformatics
Deep residual learning has shown great success in protein contact prediction. In this study, a new deep residual learning-based protein contact prediction model was developed. Comparing with previous models, a new type of residual block hybridizing 1...

De novo generation of dual-target ligands using adversarial training and reinforcement learning.

Briefings in bioinformatics
Artificial intelligence, such as deep generative methods, represents a promising solution to de novo design of molecules with the desired properties. However, generating new molecules with biological activities toward two specific targets remains an ...