A continuación se listan las publicaciones que han empleado recursos de Clúster de Computación de la UMH:

• Phospholipid binding of the dengue virus envelope E protein segment containing the conserved His residue. Villalaín J. Biochim Biophys Acta Biomembr. 2023 Jul 10;1865(7):184198. doi: 10.1016/j.bbamem.2023.184198
• Labyrinthopeptin A2 disrupts raft domains. Villalaín J. Chem Phys Lipids. 2023 Jul;253:105303. doi: 10.1016/j.chemphyslip.2023.105303
• Comparing two SVM models through different metrics based on the confusion matrix. Valero-Carreras, D.; Alcaraz, J.; Landete, M. Computers & Operations Research, Volume 152, April 2023, 106131. DOI: 10.1016/j.cor.2022.106131
• SARS-CoV-2 Protein S Fusion Peptide Is Capable of Wrapping Negatively-Charged Phospholipids. Villalaín J. Membranes (Basel). 2023 Mar 16;13(3):344. doi: 10.3390/membranes13030344
• Bergamottin: location, aggregation and interaction with the plasma membrane. Villalaín J. J Biomol Struct Dyn. 2023 Jan 5:1-12. doi: 10.1080/07391102.2022.2164521
• Interaction of Lassa virus fusion and membrane proximal peptides with late endosomal membranes. Villalaín J. Biochim Biophys Acta Biomembr. 2022 Nov 1;1864(11):184031. doi: 10.1016/j.bbamem.2022.184031
• Procyanidin C1 Location, Interaction, and Aggregation in Two Complex Biomembranes. Villalaín J. Membranes 2022, 12(7), 692; https://doi.org/10.3390/membranes12070692
• Envelope E protein of dengue virus and phospholipid binding to the late endosomal membrane. Villalaín J. Biochim Biophys Acta Biomembr. 2022 May 1;1864(5):183889. doi: 10.1016/j.bbamem.2022.183889
• Performance evaluation of decision making units through boosting methods in the context of Free Disposal Hull: some exact and heuristic algorithms.Guiller, M.D.; Aparicio, J.; Esteve, M. International Journal of Information Technology & Decision Making. DOI: 10.1142/S0219622023500050
• G protein-coupled estrogen receptor activation by bisphenol-A disrupts the protection from apoptosis conferred by the estrogen receptors ERα and ERβ in pancreatic beta cells. Babiloni-Chust, I.; dos Santos, R. S.; Medina-Gali, R. M.; Perez-Serna, A. A.; Encinar, J.-A.; Martinez-Pinna, J.; Gustafsson, J.-A.; Marroqui, L.; Nadal, A. Environment International 2022, 164, 107250. https://doi.org/10.1016/j.envint.2022.107250
• Peimine, an anti-inflammatory compound from Chinese herbal extracts, modulates muscle-type nicotinic receptors. Alberola-Die, A.; Encinar, J.A.; Cobo, R.; Fernández-Ballester, G.; González-Ros, J.M.; Ivorra, I.; Morales, A. Int. J. Mol. Sci. 2021, 22, 11287. DOI: 10.3390/cancers13164009
• Metformin Is a Pyridoxal-5′-phosphate (PLP)-Competitive Inhibitor of SHMT2. Tramonti, A., Cuyàs, E., Encinar, J.A., Pietzke, M., Paone, A., Verdura, S., Arbusà, A., Martin-Castillo, B., Giardina, G., Joven, J., Vazquez, A., Contestabile, R., Cutruzzolà F., and Menendez, J.A. Cancers 2021, 13(16), 4009.  DOI: 10.3390/cancers13164009
• Aggregation of 25-hydroxycholesterol in a complex biomembrane. Differences with cholesterol. Galiano V, Villalaín J. Biochim Biophys Acta Biomembr. 2020 Nov 1;1862(11):183413. doi: 10.1016/j.bbamem.2020.183413
• Identification of the phospholipid binding regions of the envelope E protein of flaviviruses by molecular dynamics. Carpio LE, Villalaín J. J Biomol Struct Dyn. 2020 Oct;38(17):5136-5147. doi: 10.1080/07391102.2019.1697368
• Location, Orientation and Aggregation of Bardoxolone-ME, CDDO-ME, in a Complex Phospholipid Bilayer Membrane. Galiano V, Encinar JA, Villalaín J. J Membr Biol. 2020 Apr;253(2):115-128. doi: 10.1007/s00232-020-00106-5
• Bisphenol-S and Bisphenol-F alter mouse pancreatic Β-cell ion channel expression and activity and insulin release through an estrogen receptor ERΒ mediated pathway. Marroqui, L., Martinez-Pinna, J., Castellano-Muñoz, M., dos Santos, R.S., Medina-Gali, R.M., Soriano, S., Quesada, I., Gustafsson, J., Encinar, J.A., and Nadal, A. Chemosphere. 2021; 265:129051. DOI: 10.1016/j.chemosphere.2020.129051
• Quercetin metabolites from Hibiscus sabdariffa contribute to alleviate glucolipotoxicity-induced metabolic stress in vitro. Herranz-López, M., Olivares-Vicente, M., Rodríguez Gallego, E., Encinar, J.A., Pérez-Sánchez, A., Ruiz-Torres, V., Joven, J., Roche, E. and Micol, V. Food Chem Toxicol. 2020; 144:111606. DOI: 10.1016/j.fct.2020.111606
• The interaction of temozolomide with blood components suggests the potential use of human serum albumin as a biomimetic carrier for the drug. Rubio-Camacho, M., Encinar, J.A., Martínez-Tomé, M.J., Esquembre, R., Mateo, C.R. Biomolecules 2020, 10(7), 1015. DOI: 10.3390/biom10071015
• Silibinin and SARS-CoV-2: Dual targeting of host cytokine storm and virus replication machinery for clinical management of COVID-19 patients. Bosch-Barrera, J., Martin-Castillo, B., Buxó, M., Brunet, J., Encinar, J.A., and Menendez, J.A. J. Clin. Med. 2020, 9(6), 1770. DOI: 10.3390/jcm9061770
• Potential Drugs Targeting Early Innate Immune Evasion of SARS-Coronavirus 2 via 2′-O-Methylation of Viral RNA. Encinar, J.A., and Menendez, J.A. Viruses 2020, 12(5), 525. DOI: 10.3390/v12050525
• The LSD1 inhibitor iadademstat (ORY-1001) targets SOX2-driven breast cancer stem cells: a potential epigenetic therapy in luminal-B and HER2-positive breast cancer subtypes. Cuyàs, A., Gumuzio, J., Verdura, S., Brunet, J., Bosch-Barrera, J., Martin-Castillo, B., Alarcon, T., Encinar, J.A., Martin, A.G., and Menendez, J.A. Aging 2020, 12(6): 4794-4814. DOI: 10.18632/aging.102887
• Resveratrol targets PD-L1 glycosylation and dimerization to enhance antitumor T-cell immunity. Verdura, S., Cuyàs, E., Cortada, E., Brunet, J., Lopez-Bonet, E., Martin-Castillo, B., Bosch-Barrera, J., Encinar, J.A., Menendez, J.A. Aging 2020, 12(1): 8-34. DOI: 10.18632/aging.102646
• The potential synergistic modulation of AMPK by Lippia citriodora compounds as a target in metabolic disorders. Olivares-Vicente, M., Sánchez-Marzo, N., Encinar, J.A., Cádiz-Gurrea, M.L., Lozano-Sánchez, J., Segura-Carretero, A., Arráez-Román, D., Riva, C., Barrajon, E., Herranz-López, E. and Micol, V. 2019. Nutrients; 11(12), 2961. DOI: 10.3390/nu11122961
• Extra Virgin Olive Oil Contains a Phenolic Inhibitor of the Histone Demethylase LSD1/KDM1A. Cuyàs, E., Gumuzio, J., Lozano-Sánchez, J., Carreras, D., Verdura, S., Llorach-Parés, L., Sanchez-Martinez, M., Selga, S., Pérez, G.J., Scornik, F.S., Brugada, R., Bosch-Barrera, R., Segura-Carretero, A., Martin, A.G., Encinar, J.A., and Menendez, J.A. 2019. Nutrients; 11(7): 1656. DOI: 10.3390/nu11071656
• The extra virgin olive oil phenolic oleacein is a dual substrate-inhibitor of catechol-O-methyltransferase. Cuyàs, E., Verdura, S., Lozano-Sánchez, J., Viciano-Gonzalo, I., Llorach-Parés, L., Bosch-Barrera, J., Brunet, J., Nonell-Canals, A., Segura-Carretero, A., Sánchez-Martínez, M., Encinar, J.A., and Menendez, J.A. 2019. Food Chem Toxicol.; 128: 35-45.  DOI: 10.1016/j.fct.2019.03.049
• Epigallocatechin-3-gallate Location and Interaction with Late Endosomal and Plasma Membrane Model Membranes by Molecular Dynamics. Villalaín J. J Biomol Struct Dyn. 2018 Aug 6:1-46. doi: 10.1080/07391102.2018.1508372
• Location of the bioactive pentacyclic triterpene ursolic acid in the membrane. A molecular dynamics study. Fajardo-Sánchez E, Galiano V, Villalaín J. J Biomol Struct Dyn. 2017 Sep;35(12):2688-2700
• Molecular dynamics study of the membrane interaction of a membranotropic dengue virus C protein-derived peptide. Fajardo-Sánchez E, Galiano V, Villalaín J. J Biomol Struct Dyn. 2017 May;35(6):1283-1294 May 21
• Location of the bioactive pentacyclic triterpene ursolic acid in the membrane. A molecular dynamics study. Fajardo-Sánchez, E., Galiano V., Villalaín J. J Biomol Struct Dyn. 2016 Aug 28:1-36
• Molecular dynamics study of the membrane interaction of a membranotropic dengue virus C protein-derived peptide. Fajardo-Sánchez, E., Galiano V., Villalaín J. J Biomol Struct Dyn. 2016 May 21:1-12
• The location of the protonated and unprotonated forms of arbidol in the membrane. A molecular dynamics study. Galiano, V., Villalaín, J. Journal Membrane Biology 2016 Jun; 249(3):381-91
• Oleuropein aglycone in lipid bilayer membranes. A molecular dynamics study. Galiano V, Villalaín J. Biochim Biophys Acta Biomembranes 2015 Nov;1848(11 Pt A):2849-58.