The Impact of Crystallographic Data for the Development of Machine Learning Models to Predict Protein-Ligand Binding Affinity

One of the main challenges in the early stages of drug discovery is the computational assessment of protein-ligand binding affinity. Machine learning techniques can contribute to predicting this type of interaction. We may apply these techniques following two approaches. Firstly, using the experimen...

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Bibliographic Details

Published in:	Current medicinal chemistry Vol. 28; no. 34; p. 7006
Main Authors:	Veit-Acosta, Martina, de Azevedo Junior, Walter Filgueira
Format:	Journal Article
Language:	English
Published:	01.01.2021
ISSN:	1875-533X, 1875-533X
Online Access:	Get more information
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