Computational Target Prediction

Computational target prediction is the use of algorithms and biological data to identify molecules, genes, or regulatory elements that may be acted on by a protein, RNA, drug, or signaling pathway. These methods compare sequence and structural features, gene-expression patterns, molecular interactions, and pathway relationships to estimate target likelihood and prioritize candidates for experimental testing. In developmental biology, computational target prediction helps connect transcription factors, morphogens, and noncoding RNAs with downstream genes that control cell fate, tissue patterning, and organ formation. By narrowing large candidate lists, it supports hypothesis generation, network reconstruction, and more efficient validation of regulatory mechanisms.

Computational Target Prediction - Related Videos

Research

JoVE Journal - Medicine

Protein Target Prediction and Validation of Small Molecule Compound

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2024

The experiment used here shows a method of molecular docking combined with cellular thermal shift assay to predict and validate the interaction between small molecules and protein targets.

Research

JoVE Journal - Biology
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A Protocol for Computer-Based Protein Structure and Function Prediction

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Cited by 79 •

2011

Guidelines for computer based structural and functional characterization of protein using the I-TASSER pipeline is described. Starting from query protein sequence, 3D models are generated using multiple threading alignments and iterative structural assembly simulations. Functional inferences are thereafter drawn based on matches to proteins with known structure and functions.

Education

JoVE Core - Chemistry

Predicting Molecular Geometry

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2020

VSEPR Theory for Determination of Electron Pair Geometries The following procedure uses VSEPR theory to determine the electron pair geometries and the molecular structures: Write the Lewis structure of the molecule or polyatomic ion. Count the number of electron groups (lone pairs and bonds) around the central atom. A single, double, or triple bond counts as one region of electron density. Identify the electron-pair geometry based on the number of electron groups: linear, trigonal planar,...

Computational Analysis Tutorial for Chimeric Small Noncoding RNA: Target RNA Sequencing Libraries

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Cited by 2 •

2023

Here, we present a protocol demonstrating the installation and use of a bioinformatics pipeline to analyze chimeric RNA sequencing data used in the study of in vivo RNA:RNA interactions.

Research

JoVE Journal - Genetics
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Mapping Alzheimer's Disease Variants to Their Target Genes Using Computational Analysis of Chromatin Configuration

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Cited by 5 •

2020

We present a protocol to identify functional implications of non-coding variants identified by genome-wide association studies (GWAS) using three-dimensional chromatin interactions.

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