Identifying 124 new anti-HIV drug candidates in a 37 billion-compound database: An integrated approach of machine learning (QSAR), molecular docking, and molecular dynamics simulation
-
Published:2024-07
Issue:
Volume:250
Page:105145
-
ISSN:0169-7439
-
Container-title:Chemometrics and Intelligent Laboratory Systems
-
language:en
-
Short-container-title:Chemometrics and Intelligent Laboratory Systems
Author:
Cobre Alexandre de FátimaORCID,
Ara AndersonORCID,
Alves Alexessander CoutoORCID,
Maia Neto MoisésORCID,
Fachi Mariana MillanORCID,
Beca Laize Sílvia dos Anjos Botas,
Tonin Fernanda StumpfORCID,
Pontarolo RobertoORCID