The performance of several docking programs at reproducing protein–macrolide-like crystal structures A Castro-Alvarez, AM Costa, J Vilarrasa Molecules 22 (1), 136, 2017 | 161 | 2017 |
Review on sol-gel synthesis of perovskite and oxide nanomaterials D Navas, S Fuentes, A Castro-Alvarez, E Chavez-Angel Gels 7 (4), 275, 2021 | 113 | 2021 |
High performance single-molecule magnets, Orbach or Raman relaxation suppression? A Castro-Alvarez, Y Gil, L Llanos, D Aravena Inorganic Chemistry Frontiers 7 (13), 2478-2486, 2020 | 87 | 2020 |
Mechanisms behind the enhancement of thermal properties of graphene nanofluids MR Rodríguez-Laguna, A Castro-Alvarez, M Sledzinska, J Maire, ... Nanoscale 10 (32), 15402-15409, 2018 | 52 | 2018 |
Importance of the electron correlation and dispersion corrections in calculations involving enamines, hemiaminals, and aminals. Comparison of B3LYP, M06-2X, MP2, and CCSD … A Castro-Alvarez, H Carneros, D Sanchez, J Vilarrasa The Journal of Organic Chemistry 80 (24), 11977-11985, 2015 | 35 | 2015 |
Computer-Aided Insight into the Relative Stability of Enamines A Castro-Alvarez, H Carneros, AM Costa, J Vilarrasa Synthesis 49 (24), 5285-5306, 2017 | 21 | 2017 |
New 2, 6, 9-trisubstituted purine derivatives as Bcr-Abl and Btk inhibitors and as promising agents against leukemia J Bertrand, H Dostálová, V Krystof, R Jorda, A Castro, J Mella, ... Bioorganic Chemistry 94, 103361, 2020 | 20 | 2020 |
Lanthanide SMMs based on belt macrocycles: Recent advances and general trends Y Gil, A Castro‐Alvarez, P Fuentealba, E Spodine, D Aravena Chemistry–A European Journal 28 (48), e202200336, 2022 | 19 | 2022 |
How Small Amounts of Impurities Are Sufficient to Catalyze the Interconversion of Carbonyl Compounds and Iminium Ions, or Is There a Metathesis through 1, 3‐Oxazetidinium Ions … D Seebach, T Yoshinari, AK Beck, MO Ebert, A Castro‐Alvarez, ... Helvetica Chimica Acta 97 (9), 1177-1203, 2014 | 15 | 2014 |
Further insight into the interactions of the cytotoxic macrolides laulimalide and peloruside a with their common binding site A Castro-Alvarez, O Pineda, J Vilarrasa ACS omega 3 (2), 1770-1782, 2018 | 13 | 2018 |
Structure, controlled release mechanisms and health benefits of pectins as an encapsulation material for bioactive food components R Morales-Medina, S Drusch, F Acevedo, A Castro-Alvarez, A Benie, ... Food & Function 13 (21), 10870-10881, 2022 | 11 | 2022 |
Oxazolidinone/enamine ratios in the reactions of α-silyloxy and α-alkoxy aldehydes with proline D Sanchez, A Castro-Alvarez, J Vilarrasa Tetrahedron Letters 54 (47), 6381-6384, 2013 | 10 | 2013 |
Cytotoxic effects on breast cancer cell lines of chalcones derived from a natural precursor and their molecular docking analysis L Bustos, C Echiburú-Chau, A Castro-Alvarez, B Bradshaw, MJ Simirgiotis, ... Molecules 27 (14), 4387, 2022 | 9 | 2022 |
Further insights into the organocatalytic reaction of 2, 2-dimethyl-1, 3-dioxan-5-one with α-silyloxy aldehydes D Sánchez, H Carneros, A Castro-Alvarez, E Llàcer, F Planas, J Vilarrasa Tetrahedron Letters 57 (47), 5254-5258, 2016 | 9 | 2016 |
NMR and computational studies on the reactions of enamines with nitroalkenes that may pass through cyclobutanes A Castro-Alvarez, H Carneros, J Calafat, AM Costa, C Marco, J Vilarrasa ACS omega 4 (19), 18167-18194, 2019 | 8 | 2019 |
Design, Synthesis, In Silico Studies and Inhibitory Activity towards Bcr-Abl, BTK and FLT3-ITD of New 2, 6, 9-Trisubstituted Purine Derivatives as Potential Agents for the … J Bertrand, H Dostálová, V Kryštof, R Jorda, T Delgado, A Castro-Alvarez, ... Pharmaceutics 14 (6), 1294, 2022 | 6 | 2022 |
Spectroscopic and thermal characterization of extra virgin olive oil adulterated with edible oils E Chavez-Angel, B Puertas, M Kreuzer, R Soliva Fortuny, RC Ng, ... Foods 11 (9), 1304, 2022 | 6 | 2022 |
In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular … D Cabezas, G Mellado, N Espinoza, JA Gárate, C Morales, ... Journal of Biomolecular Structure and Dynamics 41 (22), 13250-13259, 2023 | 5 | 2023 |
Exploring the Potential of Green Hydrogen Production and Application in the Antofagasta Region of Chile E Chavez-Angel, A Castro-Alvarez, N Sapunar, F Henríquez, J Saavedra, ... Energies 16 (11), 4509, 2023 | 4 | 2023 |
Understanding the Molecular Basis of 5-HT4 Receptor Partial Agonists through 3D-QSAR Studies A Castro-Alvarez, E Chávez-Ángel, R Nelson International journal of molecular sciences 22 (7), 3602, 2021 | 4 | 2021 |