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Sequence Analysis, Protein

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Positional SHAP (PoSHAP) for Interpretation of machine learning models trained from biological sequences.

PLoS computational biology
Machine learning with multi-layered artificial neural networks, also known as "deep learning," is effective for making biological predictions. However, model interpretation is challenging, especially for sequential input data used with recurrent neur...

ProALIGN: Directly Learning Alignments for Protein Structure Prediction via Exploiting Context-Specific Alignment Motifs.

Journal of computational biology : a journal of computational molecular cell biology
Template-based modeling (TBM), including homology modeling and protein threading, is one of the most reliable techniques for protein structure prediction. It predicts protein structure by building an alignment between the query sequence under predict...

Enhancing protein inter-residue real distance prediction by scrutinising deep learning models.

Scientific reports
Protein structure prediction (PSP) has achieved significant progress lately via prediction of inter-residue distances using deep learning models and exploitation of the predictions during conformational search. In this context, prediction of large in...

Prediction of Disordered Regions in Proteins with Recurrent Neural Networks and Protein Dynamics.

Journal of molecular biology
The role of intrinsically disordered protein regions (IDRs) in cellular processes has become increasingly evident over the last years. These IDRs continue to challenge structural biology experiments because they lack a well-defined conformation, and ...

LOMETS3: integrating deep learning and profile alignment for advanced protein template recognition and function annotation.

Nucleic acids research
Deep learning techniques have significantly advanced the field of protein structure prediction. LOMETS3 (https://zhanglab.ccmb.med.umich.edu/LOMETS/) is a new generation meta-server approach to template-based protein structure prediction and function...

DeepRHD: An efficient hybrid feature extraction technique for protein remote homology detection using deep learning strategies.

Computational biology and chemistry
In computational biology, the Protein Remote homology Detection technique (PRHD) has got undeniable significance. It is mostly important for structure and function identification of a protein sequence. The previous years have seen a challenge that la...

DistilProtBert: a distilled protein language model used to distinguish between real proteins and their randomly shuffled counterparts.

Bioinformatics (Oxford, England)
SUMMARY: Recently, deep learning models, initially developed in the field of natural language processing (NLP), were applied successfully to analyze protein sequences. A major drawback of these models is their size in terms of the number of parameter...

Illuminating the "Twilight Zone": Advances in Difficult Protein Modeling.

Methods in molecular biology (Clifton, N.J.)
Homology modeling was long considered a method of choice in tertiary protein structure prediction. However, it used to provide models of acceptable quality only when templates with appreciable sequence identity with a target could be found. The thres...

Multienzyme deep learning models improve peptide de novo sequencing by mass spectrometry proteomics.

PLoS computational biology
Generating and analyzing overlapping peptides through multienzymatic digestion is an efficient procedure for de novo protein using from bottom-up mass spectrometry (MS). Despite improved instrumentation and software, de novo MS data analysis remains ...

Evolutionary-scale prediction of atomic-level protein structure with a language model.

Science (New York, N.Y.)
Recent advances in machine learning have leveraged evolutionary information in multiple sequence alignments to predict protein structure. We demonstrate direct inference of full atomic-level protein structure from primary sequence using a large langu...