Binding Affinity

Tag: Binding Affinity

Research Molecules Binding #1: An introduction to Drug Discovery

September 1, 2023

Sofia Guerreiro

Cristiana Carpinteiro

In this series of blog posts we will explore a specific case of the use of AI in the pharmaceutical industry - using Graph Neural Networks for predicting binding affinity. But for now, let’s start by understanding the problem of drug discovery and some fundamental concepts like binding affinity.

Binding Affinity Drug Discovery Protein-Ligand Interactions Geometric Deep Learning Graph Neural Networks

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