AIMC Topic: Evolution, Molecular

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DP-BINDER: machine learning model for prediction of DNA-binding proteins by fusing evolutionary and physicochemical information.

Journal of computer-aided molecular design
DNA-binding proteins (DBPs) participate in various biological processes including DNA replication, recombination, and repair. In the human genome, about 6-7% of these proteins are utilized for genes encoding. DBPs shape the DNA into a compact structu...

End-to-End Differentiable Learning of Protein Structure.

Cell systems
Predicting protein structure from sequence is a central challenge of biochemistry. Co-evolution methods show promise, but an explicit sequence-to-structure map remains elusive. Advances in deep learning that replace complex, human-designed pipelines ...

Evolutionarily informed deep learning methods for predicting relative transcript abundance from DNA sequence.

Proceedings of the National Academy of Sciences of the United States of America
Deep learning methodologies have revolutionized prediction in many fields and show potential to do the same in molecular biology and genetics. However, applying these methods in their current forms ignores evolutionary dependencies within biological ...

Robust optimization through neuroevolution.

PloS one
We propose a method for evolving neural network controllers robust with respect to variations of the environmental conditions (i.e. that can operate effectively in new conditions immediately, without the need to adapt to variations). The method speci...

Levels and building blocks-toward a domain granularity framework for the life sciences.

Journal of biomedical semantics
BACKGROUND: With the emergence of high-throughput technologies, Big Data and eScience, the use of online data repositories and the establishment of new data standards that require data to be computer-parsable become increasingly important. As a conse...

iSEE: Interface structure, evolution, and energy-based machine learning predictor of binding affinity changes upon mutations.

Proteins
Quantitative evaluation of binding affinity changes upon mutations is crucial for protein engineering and drug design. Machine learning-based methods are gaining increasing momentum in this field. Due to the limited number of experimental data, using...

Supervised machine learning reveals introgressed loci in the genomes of Drosophila simulans and D. sechellia.

PLoS genetics
Hybridization and gene flow between species appears to be common. Even though it is clear that hybridization is widespread across all surveyed taxonomic groups, the magnitude and consequences of introgression are still largely unknown. Thus it is cru...

A machine learning based framework to identify and classify long terminal repeat retrotransposons.

PLoS computational biology
Transposable elements (TEs) are repetitive nucleotide sequences that make up a large portion of eukaryotic genomes. They can move and duplicate within a genome, increasing genome size and contributing to genetic diversity within and across species. A...

Interpretation of biological experiments changes with evolution of the Gene Ontology and its annotations.

Scientific reports
Gene Ontology (GO) enrichment analysis is ubiquitously used for interpreting high throughput molecular data and generating hypotheses about underlying biological phenomena of experiments. However, the two building blocks of this analysis - the ontolo...