AIMC Topic: Amino Acid Sequence

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Unified rational protein engineering with sequence-based deep representation learning.

Nature methods
Rational protein engineering requires a holistic understanding of protein function. Here, we apply deep learning to unlabeled amino-acid sequences to distill the fundamental features of a protein into a statistical representation that is semantically...

Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies.

Journal of computer-aided molecular design
In the current "genomic era" the number of identified genes is growing exponentially. However, the biological function of a large number of the corresponding proteins is still unknown. Recognition of small molecule ligands (e.g., substrates, inhibito...

Uncovering Thousands of New Peptides with Sequence-Mask-Search Hybrid Peptide Sequencing Framework.

Molecular & cellular proteomics : MCP
Typical analyses of mass spectrometry data only identify amino acid sequences that exist in reference databases. This restricts the possibility of discovering new peptides such as those that contain uncharacterized mutations or originate from unexpec...

One-shot optimization of multiple enzyme parameters: Tailoring glucose oxidase for pH and electron mediators.

Biotechnology and bioengineering
Enzymes are biological catalysts with many industrial applications, but natural enzymes are usually unsuitable for industrial processes because they are not optimized for the process conditions. The properties of enzymes can be improved by directed e...

econvRBP: Improved ensemble convolutional neural networks for RNA binding protein prediction directly from sequence.

Methods (San Diego, Calif.)
RNA binding proteins (RBPs) determine RNA process from synthesis to decay, which play a key role in RNA transport, translation and degradation. Therefore, exploring RBPs' function from the amino acid sequence using computational methods has become on...

Improvement of Epitope Prediction Using Peptide Sequence Descriptors and Machine Learning.

International journal of molecular sciences
In this work, we improved a previous model used for the prediction of proteomes as new B-cell epitopes in vaccine design. The predicted epitope activity of a queried peptide is based on its sequence, a known reference epitope sequence under specific ...

Sequence assignment for low-resolution modelling of protein crystal structures.

Acta crystallographica. Section D, Structural biology
The performance of automated model building in crystal structure determination usually decreases with the resolution of the experimental data, and may result in fragmented models and incorrect side-chain assignment. Presented here are new methods for...

Prediction of ATP-binding sites in membrane proteins using a two-dimensional convolutional neural network.

Journal of molecular graphics & modelling
Membrane proteins, the most important drug targets, account for around 30% of total proteins encoded by the genome of living organisms. An important role of these proteins is to bind adenosine triphosphate (ATP), facilitating crucial biological proce...

Protein Function Prediction: From Traditional Classifier to Deep Learning.

Proteomics
Deep learning demonstrates greater competence over traditional machine learning techniques for many tasks. In last several years, deep learning has been applied to protein function prediction and a series of good achievements has been obtained. These...

Learning Compositional Representations of Interacting Systems with Restricted Boltzmann Machines: Comparative Study of Lattice Proteins.

Neural computation
A restricted Boltzmann machine (RBM) is an unsupervised machine learning bipartite graphical model that jointly learns a probability distribution over data and extracts their relevant statistical features. RBMs were recently proposed for characterizi...