AIMC Topic: Amino Acids

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Protein design using structure-based residue preferences.

Nature communications
Recent developments in protein design rely on large neural networks with up to 100s of millions of parameters, yet it is unclear which residue dependencies are critical for determining protein function. Here, we show that amino acid preferences at in...

Leveraging machine learning to dissect role of combinations of amino acids in modulating the effect of zinc on mammalian cell growth.

Biotechnology progress
Although the contributions of individual components of cell culture media are largely known, their combinatorial effects are far less understood. Experiments varying one component at a time cannot identify combinatorial effects, and analysis of the l...

Learning the shape of protein microenvironments with a holographic convolutional neural network.

Proceedings of the National Academy of Sciences of the United States of America
Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from its sequence or struct...

DRBpred: A sequence-based machine learning method to effectively predict DNA- and RNA-binding residues.

Computers in biology and medicine
DNA-binding and RNA-binding proteins are essential to an organism's normal life cycle. These proteins have diverse functions in various biological processes. DNA-binding proteins are crucial for DNA replication, transcription, repair, packaging, and ...

Mining and rational design of psychrophilic catalases using metagenomics and deep learning models.

Applied microbiology and biotechnology
A complete catalase-encoding gene, designated soiCat1, was obtained from soil samples via metagenomic sequencing, assembly, and gene prediction. soiCat1 showed 73% identity to a catalase-encoding gene of Mucilaginibacter rubeus strain P1, and the ami...

Unmasking crucial residues in adipose triglyceride lipase for coactivation with comparative gene identification-58.

Journal of lipid research
Lipolysis is an essential metabolic process that releases unesterified fatty acids from neutral lipid stores to maintain energy homeostasis in living organisms. Adipose triglyceride lipase (ATGL) plays a key role in intracellular lipolysis and can be...

DeepPPThermo: A Deep Learning Framework for Predicting Protein Thermostability Combining Protein-Level and Amino Acid-Level Features.

Journal of computational biology : a journal of computational molecular cell biology
Using wet experimental methods to discover new thermophilic proteins or improve protein thermostability is time-consuming and expensive. Machine learning methods have shown powerful performance in the study of protein thermostability in recent years....

SPIN-CGNN: Improved fixed backbone protein design with contact map-based graph construction and contact graph neural network.

PLoS computational biology
Recent advances in deep learning have significantly improved the ability to infer protein sequences directly from protein structures for the fix-backbone design. The methods have evolved from the early use of multi-layer perceptrons to convolutional ...

Effective Local and Secondary Protein Structure Prediction by Combining a Neural Network-Based Approach with Extensive Feature Design and Selection without Reliance on Evolutionary Information.

International journal of molecular sciences
Protein structure prediction continues to pose multiple challenges despite outstanding progress that is largely attributable to the use of novel machine learning techniques. One of the widely used representations of local 3D structure-protein blocks ...

Machine learning-based model for accurate identification of druggable proteins using light extreme gradient boosting.

Journal of biomolecular structure & dynamics
The identification of druggable proteins (DPs) is significant for the development of new drugs, personalized medicine, understanding of disease mechanisms, drug repurposing, and economic benefits. By identifying new druggable targets, researchers can...