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Title: Multi-output model with box-jenkins operators of quadratic indices for prediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteinsAuthor: Casañola-Martin G.M. / Le-Thi-Thu H. / Pérez-Giménez F. / Marrero-Ponce Y. / Merino-Sanjuán M. / Abad C. / González-Díaz H.Language: InglésRepository: 61Subject: Atom-based quadratic indices / Cancer / CHEMBL / Malaria / Moving average / Multi-scale and multi-output model / Multi-target / QSAR / UPP inhibitor / Antineoplastic agent / Proteasome / Ubiquitin / Antimalarial agent / ALMA model / Apoptosis / Article / Bob Jenkins operator / Cell cycle / Computer program / Diagnostic accuracy / DNA repair / Gene expression / Model / Mus musculus / Oryctolagus cuniculus / Plasmodium falciparum / Quantitative structure activity relation / Rattus norvegicus / Sensitivity and specificity / Signal transduction / Biology / Drug database / Drug development / Drug effects / Human / Metabolism / Molecularly targeted therapy / Neoplasms / Protein degradation / Antimalarials / Antineoplastic agents / Computational Biology / Databases, Pharmaceutical / Drug Discovery / Humans / Molecular Targeted Therapy / Proteasome Endopeptidase Complex / Proteolysis
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Title: QSAR and molecular docking modelling of anti-leishmanial activities of organic selenium and tellurium compoundsAuthor: Cabrera, Nicolas / Mora, Jose R / Márquez, E. / Flores-Morales, Virginia / Calle, L. / Cortés, E.Language: InglésRepository: 57Subject: Leishmaniasis / QSAR / Docking analysis / Protozoan parasites / Organic selenium compounds
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Title: Modelling the anti-methicillin-resistant staphylococcus aureus (MRSA) activity of cannabinoids: a QSAR and Docking studyAuthor: Eliceo Cortes, Eliceo / Mora, José / Márquez, EdgarLanguage: InglésRepository: 57Subject: Cannabinoids / Anti-MRSA / QSAR / Molecular docking / DFT
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Title: Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) InhibitorsAuthor: Duchowicz, Pablo Román / Fioressi, Silvina E. / Castro, Eduardo Alberto / Wróbel, Karolina / Ibezim, Nnenna E. / Bacelo, Daniel E.Language: InglésRepository: 37Subject: Ciencias Exactas / Física / Química / cancer / HER2 / QSAR / tyrosine kinase protein
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Title: Diseño in silico de nuevos análogos de enalapril (inhibidores de la ECA) utilizando QSAR y modelos de acoplamiento molecular / In-silico design of new Enalapril analogs (ACE inhibitors) using QSAR and molecular docking modelsAuthor: Gonzalez Amaya, Jhon Alex / Zambrano Cabrera, Daniella / Mojica Matallana, Alejandra / González Arevalo, Karen / Guevara Pulido, JamesLanguage: InglésRepository: 75
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Title: Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screeningAuthor: Dietrich, Roque Carlos / Alberca, Lucas Nicolás / Ruiz, María Daniela / Palestro, Pablo Hernán / Carrillo, Carolina / Talevi, Alan / Gavernet, LucianaLanguage: InglésRepository: 37Subject: Química / Chagas disease / Cisapride / Docking / Drug repositioning / QSAR / TcPAT12 / TcPOT1.1.
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Title: A Hooke's law-based approach to protein folding rateAuthor: Ruiz-Blanco Y.B. / Marrero-Ponce Y. / Prieto P.J. / Salgado J. / García Y. / Sotomayor-Torres C.M.Language: InglésRepository: 61Subject: Elastic folding constant / Folding degree / Folding kinetics / PROTDCAL / Polypeptide / DNA / Protein / Energetics / Modeling / Peptide / Reaction kinetics / Amino acid sequence / Article / Elasticity / Protein folding / Protein structure / Structure analysis / Theoretical model / Chemical model / Chemistry / Computer simulation / Kinetics / Protein secondary structure / Thermodynamics / Models, Chemical / Protein Structure, Secondary / Proteins
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Title: Implementación de la metodología bim (building information modeling) como herramienta para el control del proceso constructivo en la ampliación de la clínica cancerológica de BoyacáAuthor: Miño Hernández, Juan DiegoLanguage: DesconocidoRepository: 40Subject: BIM / Revit / Navisworks / Modelación / Construcción / Proceso / Control / Estructura / MEP / Instalaciones / Ejecución / Modeling / Construction / Process / Structure / Installations / Coordination / Execution / Ingeniería civil / Supervisión / Construccción-Innovaciones tecnológicas
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Title: Object-oriented mathematical modeling for estimating electric vehicle’s range using modelicaAuthor: Dominguez-Jimenez J.A. / Campillo J.Language: InglésRepository: 61Subject: Electric vehicles / Library / Modelica / Modeling / Range / Automobile manufacture / Commercial vehicles / Energy utilization / Estimation / Libraries / Models / Computational model / Electric Vehicles (EVs) / Modeling and simulating / Object-oriented modeling languages / Specification sheets / Vehicle manufacturers / Modeling languages
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