Antonio Jesús Banegas‐Luna
Universidad Católica de Murcia(ES)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Explainable Artificial Intelligence (XAI), Machine Learning in Materials Science, Machine Learning in Healthcare, Protein Structure and Dynamics
Most-Cited Works
- → Application advances of deep learning methods for de novo drug design and molecular dynamics simulation(2021)145 cited
- → Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual Screening(2019)105 cited
- → A Review of Ligand-Based Virtual Screening Web Tools and Screening Algorithms in Large Molecular Databases in the Age of Big Data(2018)95 cited
- → Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case Survey(2021)70 cited
- → WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm(2021)35 cited
- → Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts?(2020)33 cited
- → ANTIAGE-DB: A Database and Server for the Prediction of Anti-Aging Compounds Targeting Elastase, Hyaluronidase, and Tyrosinase(2022)24 cited
- → Advances in distributed computing with modern drug discovery(2018)22 cited
- → BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases(2019)19 cited
- → African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2′-O-ribose methyltransferase: An in silico perspective(2022)17 cited