Antonio Jesús Banegas‐Luna

Application advances of deep learning methods for de novo drug design and molecular dynamics simulation

Qifeng Bai, Shuo Liu, Yanan Tian et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2021 · 141 citations · Full text

Engineering, Machine Learning, Application Advances +21

WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm

Qifeng Bai, Jian Ma, Shuo Liu et al. · Computational and Structural Biotechnology Journal · 2021 · 34 citations · Full text

Artificial Intelligence, Drug Target, Engineering +25

BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases

Antonio Jesús Banegas‐Luna, José P. Cerón‐Carrasco, Savíns Puertas‐Martín et al. · Journal of Chemical Information and Modeling · 2019 · 19 citations

African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2′-O-ribose methyltransferase: An in silico perspective

Gideon Ampoma Gyebi, Oludare M. Ogunyemi, Adedotun A. Adefolalu et al. · Journal of Molecular Structure · 2022 · 17 citations · Full text

Biology, Silico Perspective, Natural Sciences +11

Computation Screening of Multi-Target Antidiabetic Properties of Phytochemicals in Common Edible Mediterranean Plants

Vlasios Goulas, Antonio Jesús Banegas‐Luna, Athena Constantinou et al. · Plants · 2022 · 14 citations · Full text

Botany, Polyphenolics, Food Chemistry +16