AIMC Topic: Computational Biology

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Beyond AlphaFold2: The Impact of AI for the Further Improvement of Protein Structure Prediction.

Methods in molecular biology (Clifton, N.J.)
Protein structure prediction is fundamental to molecular biology and has numerous applications in areas such as drug discovery and protein engineering. Machine learning techniques have greatly advanced protein 3D modeling in recent years, particularl...

Machine Learning Techniques to Infer Protein Structure and Function from Sequences: A Comprehensive Review.

Methods in molecular biology (Clifton, N.J.)
The elucidation of protein structure and function plays a pivotal role in understanding biological processes and facilitating drug discovery. With the exponential growth of protein sequence data, machine learning techniques have emerged as powerful t...

Leveraging Artificial Intelligence in GPCR Activation Studies: Computational Prediction Methods as Key Drivers of Knowledge.

Methods in molecular biology (Clifton, N.J.)
G protein-coupled receptors (GPCRs) are key molecules involved in cellular signaling and are attractive targets for pharmacological intervention. This chapter is designed to explore the range of algorithms used to predict GPCRs' activation states, wh...

Automated Machine Learning Tools to Build Regression Models for Schizosaccharomyces pombe Omics Data.

Methods in molecular biology (Clifton, N.J.)
Machine learning is a powerful tool for analyzing biological data and making useful predictions. The surge of biological data from high-throughput omics technologies has raised the need for modeling approaches capable of tackling such amounts of data...

MolPredictX: A Pioneer Mobile App Version for Online Biological Activity Predictions by Machine Learning Models.

Methods in molecular biology (Clifton, N.J.)
MolPredictX is a free-access web tool in which it is possible to analyze the prediction of biological activity of chemical molecules. MolPredictX has been available online to the general public for just over a year and has now gone through its first ...

Automated Workflows for Data Curation and Machine Learning to Develop Quantitative Structure-Activity Relationships.

Methods in molecular biology (Clifton, N.J.)
The recent advancements in machine learning and the new availability of large chemical datasets made the development of tools and protocols for computational chemistry a topic of high interest. In this chapter a standard procedure to develop Quantita...

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...

Machine and Deep Learning Methods for Predicting 3D Genome Organization.

Methods in molecular biology (Clifton, N.J.)
Three-dimensional (3D) chromatin interactions, such as enhancer-promoter interactions (EPIs), loops, topologically associating domains (TADs), and A/B compartments, play critical roles in a wide range of cellular processes by regulating gene expressi...