| Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde? M Cruz-Monteagudo, JL Medina-Franco, Y Pérez-Castillo, O Nicolotti, ... Drug Discovery Today 19 (8), 1069-1080, 2014 | 189 | 2014 |
| Synthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors MJ Matos, C Teran, Y Perez-Castillo, E Uriarte, L Santana, D Vina Journal of medicinal chemistry 54 (20), 7127-7137, 2011 | 172 | 2011 |
| HP-Lattice QSAR for dynein proteins: experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence MA Dea-Ayuela, Y Pérez-Castillo, A Meneses-Marcel, FM Ubeira, ... Bioorganic & medicinal chemistry 16 (16), 7770-7776, 2008 | 111 | 2008 |
| Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices H González‐Díaz, Y Pérez‐castillo, G Podda, E Uriarte Journal of Computational Chemistry 28 (12), 1990-1995, 2007 | 76 | 2007 |
| SARS‐CoV‐2, an evolutionary perspective of interaction with human ACE2 reveals undiscovered amino acids necessary for complex stability V Armijos‐Jaramillo, J Yeager, C Muslin, Y Perez‐Castillo Evolutionary Applications 13 (9), 2168-2178, 2020 | 59 | 2020 |
| Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 Mpro Protease E Tejera, CR Munteanu, A López-Cortés, A Cabrera-Andrade, ... Molecules 25 (21), 5172, 2020 | 55 | 2020 |
| Bioactive terpenes and their derivatives as potential SARS-CoV-2 proteases inhibitors from molecular modeling studies LRL Diniz, Y Perez-Castillo, HA Elshabrawy, CSMB Filho, DP de Sousa Biomolecules 11 (1), 74, 2021 | 52 | 2021 |
| OncoOmics approaches to reveal essential genes in breast cancer: a panoramic view from pathogenesis to precision medicine A López-Cortés, C Paz-y-Miño, S Guerrero, A Cabrera-Andrade, ... Scientific reports 10 (1), 5285, 2020 | 48 | 2020 |
| Gene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis A López-Cortés, C Paz-y-Miño, A Cabrera-Andrade, SJ Barigye, ... Scientific reports 8 (1), 16679, 2018 | 41 | 2018 |
| Trypanocidal Mechanism of Action and in silico Studies of p-Coumaric Acid Derivatives SP Lopes, YP Castillo, ML Monteiro, RR Menezes, RN Almeida, ... International journal of molecular sciences 20 (23), 5916, 2019 | 37 | 2019 |
| Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery M Cruz-Monteagudo, S Schürer, E Tejera, Y Perez-Castillo, ... Drug Discovery Today 22 (7), 994-1007, 2017 | 37 | 2017 |
| Prediction of breast cancer proteins involved in immunotherapy, metastasis, and RNA-binding using molecular descriptors and artificial neural networks A López-Cortés, A Cabrera-Andrade, JM Vazquez-Naya, A Pazos, ... Scientific reports 10 (1), 8515, 2020 | 35 | 2020 |
| Efficient and biologically relevant consensus strategy for Parkinson’s disease gene prioritization M Cruz-Monteagudo, F Borges, C Paz-y-Miño, MNDS Cordeiro, I Rebelo, ... BMC medical genomics 9, 1-25, 2016 | 35 | 2016 |
| Larvicidal Activity of Cinnamic Acid Derivatives: Investigating Alternative Products for Aedes aegypti L. Control MO Araújo, Y Pérez-Castillo, LHG Oliveira, FC Nunes, DP Sousa Molecules 26 (1), 61, 2020 | 33 | 2020 |
| Consensus strategy in genes prioritization and combined bioinformatics analysis for preeclampsia pathogenesis E Tejera, M Cruz-Monteagudo, G Burgos, ME Sánchez, ... BMC medical genomics 10, 1-19, 2017 | 33 | 2017 |
| GA (M) E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design Y Perez-Castillo, C Lazar, J Taminau, M Froeyen, MÁ Cabrera-Pérez, ... Journal of chemical information and modeling 52 (9), 2366-2386, 2012 | 31 | 2012 |
| Bioactivity and molecular docking studies of derivatives from cinnamic and benzoic acids Y Perez-Castillo, TC Lima, AR Ferreira, CR Silva, RS Campos, JBA Neto, ... BioMed research international 2020 (1), 6345429, 2020 | 30 | 2020 |
| From flamingo dance to (desirable) drug discovery: a nature-inspired approach A Sánchez-Rodríguez, Y Pérez-Castillo, SC Schürer, O Nicolotti, ... Drug discovery today 22 (10), 1489-1502, 2017 | 30 | 2017 |
| Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study AK Halder, P Ambure, Y Perez-Castillo, MNDS Cordeiro Journal of CO2 Utilization 58, 101926, 2022 | 29 | 2022 |
| 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 | 29 | 2021 |
Humbert G. DíazIKERBASQUE Prof. Univ. of Basque Country UPV/EHUVerified email at ehu.es
