Yunierkis Perez-Castillo
Yunierkis Perez-Castillo
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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
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
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
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
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
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
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
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
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
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
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
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
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 Vázquez-Naya, A Pazos, ...
Scientific reports 10 (1), 8515, 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
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
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
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
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
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, 1-13, 2020
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
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