Application advances of deep learning methods for de novo drug design and molecular dynamics simulationQifeng Bai, Xiaojun Yao, Shuo Liu et al.|Wiley Interdisciplinary Reviews Computational Molecular Science|2021Cited by 151
Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual ScreeningAndreia S.P. Pereira, Zeno Apostolides, Antonio Jesús Banegas‐Luna et al.|Molecules|2019Cited by 110
A Review of Ligand-Based Virtual Screening Web Tools and Screening Algorithms in Large Molecular Databases in the Age of Big DataAntonio Jesús Banegas‐Luna, Horacio Pérez‐Sánchez, José P. Cerón‐Carrasco|Future Medicinal Chemistry|2018Cited by 99
Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case SurveyAntonio Jesús Banegas‐Luna, Horacio Pérez‐Sánchez, Jorge Peña‐García et al.|International Journal of Molecular Sciences|2021Cited by 72
WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithmQifeng Bai, Xiaojun Yao, Jian Ma et al.|Computational and Structural Biotechnology Journal|2021Cited by 39