| Evaluation of the anti-diabetic activity of some common herbs and spices: providing new insights with inverse virtual screening ASP Pereira, AJ Banegas-Luna, J Peña-García, H Pérez-Sánchez, ... Molecules 24 (22), 4030, 2019 | 90 | 2019 |
| A review of ligand-based virtual screening web tools and screening algorithms in large molecular databases in the age of big data AJ Banegas-Luna, JP Cerón-Carrasco, H Pérez-Sánchez Future medicinal chemistry 10 (22), 2641-2658, 2018 | 86 | 2018 |
| Application advances of deep learning methods for de novo drug design and molecular dynamics simulation Q Bai, S Liu, Y Tian, T Xu, AJ Banegas‐Luna, H Pérez‐Sánchez, J Huang, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (3), e1581, 2022 | 78 | 2022 |
| Towards the interpretability of machine learning predictions for medical applications targeting personalised therapies: A cancer case survey AJ Banegas-Luna, J Peña-García, A Iftene, F Guadagni, P Ferroni, ... International Journal of Molecular Sciences 22 (9), 4394, 2021 | 40 | 2021 |
| Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts? S Puertas-Martín, AJ Banegas-Luna, M Paredes-Ramos, JL Redondo, ... Expert opinion on drug discovery 15 (9), 981-985, 2020 | 30 | 2020 |
| WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm Q Bai, J Ma, S Liu, T Xu, AJ Banegas-Luna, H Pérez-Sánchez, Y Tian, ... Computational and Structural Biotechnology Journal 19, 3573-3579, 2021 | 21 | 2021 |
| Advances in distributed computing with modern drug discovery AJ Banegas-Luna, B Imbernon, A Llanes Castro, A Perez-Garrido, ... Expert opinion on drug discovery 14 (1), 9-22, 2019 | 18 | 2019 |
| Application of computational drug discovery techniques for designing new drugs against Zika virus JP Ceron-Carrasco, T Coronado-Parra, B Imbernón-Tudela, ... OMICS International, 2016 | 17 | 2016 |
| BRUSELAS: HPC generic and customizable software architecture for 3D ligand-based virtual screening of large molecular databases AJ Banegas-Luna, JP Ceron-Carrasco, S Puertas-Martín, ... Journal of Chemical Information and Modeling 59 (6), 2805-2817, 2019 | 15 | 2019 |
| Computational study of asian propolis compounds as potential anti-type 2 diabetes mellitus agents by using inverse virtual screening with the DIA-DB web server, tanimoto … PH Syaifie, AH Harisna, MAF Nasution, AG Arda, DW Nugroho, ... Molecules 27 (13), 3972, 2022 | 12 | 2022 |
| ANTIAGE-DB: A database and server for the prediction of anti-aging compounds targeting elastase, hyaluronidase, and tyrosinase CD Papaemmanouil, J Peña-García, AJ Banegas-Luna, AD Kostagianni, ... Antioxidants 11 (11), 2268, 2022 | 9 | 2022 |
| Computation screening of multi-target antidiabetic properties of phytochemicals in common edible mediterranean plants V Goulas, AJ Banegas-Luna, A Constantinou, H Pérez-Sánchez, ... Plants 11 (13), 1637, 2022 | 5 | 2022 |
| African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2′-O-ribose methyltransferase: an in silico perspective GA Gyebi, OM Ogunyemi, AA Adefolalu, A Rodríguez-Martínez, ... Journal of Molecular Structure 1262, 133019, 2022 | 4 | 2022 |
| Identification of kukoamine A, zeaxanthin, and clexane as new furin inhibitors D Zaragoza-Huesca, C Martínez-Cortés, AJ Banegas-Luna, ... International Journal of Molecular Sciences 23 (5), 2796, 2022 | 4 | 2022 |
| Antimalarial phytochemicals as potential inhibitors of SARS-CoV-2 guanine N7-methyltransferase (nsp 14): an integrated computational approach GA Gyebi, OM Ogunyemi, AA Adefolalu, JF López-Pastor, ... Journal of Biomolecular Structure and Dynamics 41 (11), 5022-5044, 2023 | 2 | 2023 |
| SIBILA: Highperformance computing and interpretable machine learning join efforts toward personalised medicine in a novel decision-making tool AJ Banegas-Luna, H Pérez-Sánchez CoRR, 2022 | 2 | 2022 |
| TOLEDO: Accelerated Maestro GUI molecular dynamics simulations M Carmena-Bargueño, C Martínez-Cortés, AJ Banegas-Luna, ... | 1 | 2023 |
| SIBILA: A novel interpretable ensemble of general-purpose machine learning models applied to medical contexts AJ Banegas-Luna, H Pérez-Sánchez arXiv preprint arXiv:2205.06234, 2022 | 1 | 2022 |
| Computation screening of multi-target antidiabetic properties of phytochemicals in common edible Mediterranean plants. Plants. 2022; 11 (13): 11131637 V Goulas, AJ Banegas-Luna, A Constantinou, H Pérez-Sánchez, ... New Insights in the Research of Bioactive Compounds from Plant Origin with …, 2022 | 1 | 2022 |
| When will the mist clear? on the interpretability of machine learning for medical applications: a survey AJ Banegas-Luna, J Peña-García, A Iftene, F Guadagni, P Ferroni, ... arXiv preprint arXiv:2010.00353, 2020 | 1 | 2020 |
