| Homology modeling of the human p-glycoprotein (Abcb1) and insights into ligand binding through molecular docking studies L Mora Lagares, N Minovski, AY Caballero Alfonso, E Benfenati, ... International journal of molecular sciences 21 (11), 4058, 2020 | 56 | 2020 |
| Multiclass classifier for P-glycoprotein substrates, inhibitors, and non-active compounds L Mora Lagares, N Minovski, M Novič Molecules 24 (10), 2006, 2019 | 32 | 2019 |
| Structure–Function Relationships in the Human P-Glycoprotein (ABCB1): Insights from Molecular Dynamics Simulations L Mora Lagares, Y Pérez-Castillo, N Minovski, M Novič International journal of molecular sciences 23 (1), 362, 2021 | 31 | 2021 |
| Probabilistic modelling of developmental neurotoxicity based on a simplified adverse outcome pathway network N Spînu, MTD Cronin, J Lao, A Bal-Price, I Campia, SJ Enoch, ... Computational Toxicology 21, 100206, 2022 | 22 | 2022 |
| Recent Advances on P-Glycoprotein (ABCB1) Transporter Modelling with In Silico Methods L Mora Lagares, M Novič International Journal of Molecular Sciences 23 (23), 14804, 2022 | 13 | 2022 |
| Exploring BPA alternatives–Environmental levels and toxicity review O Adamovsky, KJ Groh, A Białk-Bielińska, BI Escher, R Beaudouin, ... Environment international 189, 108728, 2024 | 9 | 2024 |
| Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach L Mora Lagares, M Vračko Journal of Xenobiotics 13 (4), 719-739, 2023 | 5 | 2023 |
| Exploration of structural requirements for azole chemicals towards human aromatase CYP19A1 activity: Classification modeling, structure-activity relationships and read-across study AYC Alfonso, LM Lagares, M Novic, E Benfenati, A Kumar Toxicology in Vitro 81, 105332, 2022 | 5 | 2022 |
| Exploring the dynamics of the ABCB1 membrane transporter P-glycoprotein in the presence of ATP and active/non-active compounds through molecular dynamics simulations LM Lagares, Y Pérez-Castillo, M Novič Toxicology 502, 153732, 2024 | 4 | 2024 |
| Computational Study of Hydrogen Bonding in Substituted Phenol‐Acetonitrile‐Water Clusters CV José, CO Sandra, CG Fernando, CP Pedro, ML Liadys Journal of the Chinese Chemical Society 55 (3), 529-534, 2008 | 3 | 2008 |
| Molecular modeling study on morphine derivatives using density functional methods and molecular descriptors J Cotuá, S Cotes, P Castro, F Castro, L Mora Journal of the Korean Chemical Society 54 (4), 363-373, 2010 | 2 | 2010 |
| Exploration of structural requirements for azole chemicals towards human aromatase CYP19A1 activity: Classification modeling, structure-activity relationships and read-across study AY Caballero Alfonso, L Mora Lagares, M Novic, E Benfenati, A Kumar Toxicology in Vitro 81, 105332, 2022 | 1 | 2022 |
| Computational Tools to Facilitate Early Warning of New Emerging Risk Chemicals F Tariq, L Ahrens, NA Alygizakis, K Audouze, E Benfenati, PN Carvalho, ... Toxics 12 (10), 736, 2024 | | 2024 |
| Modelling of compounds interaction with P-glycoprotein: an in silico approach towards identification of safer chemicals L Mora Lagares, M Novic, N Minovski TOXICOLOGY LETTERS 314, S281-S281, 2019 | | 2019 |
Yunierkis Perez-CastilloUniversidad de Las Americas. Quito在 udla.edu.ec 的电子邮件经过验证
