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Evolution, Molecular

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Experimental exploration of a ribozyme neutral network using evolutionary algorithm and deep learning.

Nature communications
A neutral network connects all genotypes with equivalent phenotypes in a fitness landscape and plays an important role in the mutational robustness and evolvability of biomolecules. In contrast to earlier theoretical works, evidence of large neutral ...

Inpactor2: a software based on deep learning to identify and classify LTR-retrotransposons in plant genomes.

Briefings in bioinformatics
LTR-retrotransposons are the most abundant repeat sequences in plant genomes and play an important role in evolution and biodiversity. Their characterization is of great importance to understand their dynamics. However, the identification and classif...

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...

Self-replicating artificial neural networks give rise to universal evolutionary dynamics.

PLoS computational biology
In evolutionary models, mutations are exogenously introduced by the modeler, rather than endogenously introduced by the replicator itself. We present a new deep-learning based computational model, the self-replicating artificial neural network (SeRAN...

The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations.

Journal of computer-aided molecular design
Computer-aided drug design has advanced rapidly in recent years, and multiple instances of in silico designed molecules advancing to the clinic have demonstrated the contribution of this field to medicine. Properly designed and implemented platforms ...

Deciphering the Coevolutionary Dynamics of L2 β-Lactamases via Deep Learning.

Journal of chemical information and modeling
L2 β-lactamases, serine-based class A β-lactamases expressed by , play a pivotal role in antimicrobial resistance (AMR). However, limited studies have been conducted on these important enzymes. To understand the coevolutionary dynamics of L2 β-lactam...

Essentiality, protein-protein interactions and evolutionary properties are key predictors for identifying cancer-associated genes using machine learning.

Scientific reports
The distinctive nature of cancer as a disease prompts an exploration of the special characteristics the genes implicated in cancer exhibit. The identification of cancer-associated genes and their characteristics is crucial to further our understandin...

FluPMT: Prediction of Predominant Strains of Influenza A Viruses via Multi-Task Learning.

IEEE/ACM transactions on computational biology and bioinformatics
Seasonal influenza vaccines play a crucial role in saving numerous lives annually. However, the constant evolution of the influenza A virus necessitates frequent vaccine updates to ensure its ongoing effectiveness. The decision to develop a new vacci...