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Nucleic Acid Conformation

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Predicting bacterial transcription factor binding sites through machine learning and structural characterization based on DNA duplex stability.

Briefings in bioinformatics
Transcriptional factors (TFs) in bacteria play a crucial role in gene regulation by binding to specific DNA sequences, thereby assisting in the activation or repression of genes. Despite their central role, deciphering shape recognition of bacterial ...

Predicting RNA sequence-structure likelihood via structure-aware deep learning.

BMC bioinformatics
BACKGROUND: The active functionalities of RNA are recognized to be heavily dependent on the structure and sequence. Therefore, a model that can accurately evaluate a design by giving RNA sequence-structure pairs would be a valuable tool for many rese...

Wfold: A new method for predicting RNA secondary structure with deep learning.

Computers in biology and medicine
Precise estimations of RNA secondary structures have the potential to reveal the various roles that non-coding RNAs play in regulating cellular activity. However, the mainstay of traditional RNA secondary structure prediction methods relies on thermo...

RNAfcg: RNA Flexibility Prediction Based on Topological Centrality and Global Features.

Journal of chemical information and modeling
The dynamics of RNAs are related intimately to their functions. Molecular flexibility, as a starting point for understanding their dynamics, has been utilized to predict many characteristics associated with their functions. Since the experimental mea...

Investigating Ligand-Mediated Conformational Dynamics of Pre-miR21: A Machine-Learning-Aided Enhanced Sampling Study.

Journal of chemical information and modeling
MicroRNAs (miRs) are short, noncoding RNA strands that regulate the activity of mRNAs by affecting the repression of protein translation, and their dysregulation has been implicated in several pathologies. miR21 in particular has been implicated in t...

Deep generative design of RNA aptamers using structural predictions.

Nature computational science
RNAs represent a class of programmable biomolecules capable of performing diverse biological functions. Recent studies have developed accurate RNA three-dimensional structure prediction methods, which may enable new RNAs to be designed in a structure...

Predicting synthetic mRNA stability using massively parallel kinetic measurements, biophysical modeling, and machine learning.

Nature communications
mRNA degradation is a central process that affects all gene expression levels, though it remains challenging to predict the stability of a mRNA from its sequence, due to the many coupled interactions that control degradation rate. Here, we carried ou...

Generative Modeling of RNA Sequence Families with Restricted Boltzmann Machines.

Methods in molecular biology (Clifton, N.J.)
In this chapter, we discuss the potential application of Restricted Boltzmann machines (RBM) to model sequence families of structured RNA molecules. RBMs are a simple two-layer machine learning model able to capture intricate sequence dependencies in...

gRNAde: A Geometric Deep Learning Pipeline for 3D RNA Inverse Design.

Methods in molecular biology (Clifton, N.J.)
Fundamental to the diverse biological functions of RNA are its 3D structure and conformational flexibility, which enable single sequences to adopt a variety of distinct 3D states. Currently, computational RNA design tasks are often posed as inverse p...

Machine Learning for RNA Design: LEARNA.

Methods in molecular biology (Clifton, N.J.)
Machine learning algorithms, and in particular deep learning approaches, have recently garnered attention in the field of molecular biology due to remarkable results. In this chapter, we describe machine learning approaches specifically developed for...