Recent PELE Developments and Applications in Drug Discovery Campaigns

Recent PELE Developments and Applications in Drug Discovery Campaigns

Computer simulation techniques are gaining a central role in molecular pharmacology. Due to several factors, including the significant improvements of traditional molecular modelling, the irruption of machine learning methods, the massive data generation, or the unlimited computational resources thr...

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Bibliographic Details
Main Authors: Ignasi Puch-Giner, Alexis Molina, Martí Municoy, Carles Pérez, Victor Guallar
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:International Journal of Molecular Sciences
Subjects:
PELE
molecular modelling
virtual screening
machine learning
drug design
CADD
Online Access:https://www.mdpi.com/1422-0067/23/24/16090

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