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Subject: QSAR Modeling Year: 2020 Document Type: Artículo

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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) proteins
Author: Casañola-Martin G.M. / Le-Thi-Thu H. / Pérez-Giménez F. / Marrero-Ponce Y. / Merino-Sanjuán M. / Abad C. / González-Díaz H.
Language: Inglés
Repository: 61
Subject: 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
Title: Modelling the anti-methicillin-resistant staphylococcus aureus (MRSA) activity of cannabinoids: a QSAR and Docking study
Author: Eliceo Cortes, Eliceo / Mora, José / Márquez, Edgar
Language: Inglés
Repository: 57
Subject: Cannabinoids / Anti-MRSA / QSAR / Molecular docking / DFT
Title: Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors
Author: Duchowicz, Pablo Román / Fioressi, Silvina E. / Castro, Eduardo Alberto / Wróbel, Karolina / Ibezim, Nnenna E. / Bacelo, Daniel E.
Language: Inglés
Repository: 37
Subject: 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 models
Author: Gonzalez Amaya, Jhon Alex / Zambrano Cabrera, Daniella / Mojica Matallana, Alejandra / González Arevalo, Karen / Guevara Pulido, James
Language: Inglés
Repository: 75
Subject: QSAR / Docking / IC50 / MLR / PLS

Acceder
Title: Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening
Author: Dietrich, Roque Carlos / Alberca, Lucas Nicolás / Ruiz, María Daniela / Palestro, Pablo Hernán / Carrillo, Carolina / Talevi, Alan / Gavernet, Luciana
Language: Inglés
Repository: 37
Subject: Química / Chagas disease / Cisapride / Docking / Drug repositioning / QSAR / TcPAT12 / TcPOT1.1.

Acceder
Title: A Hooke's law-based approach to protein folding rate
Author: Ruiz-Blanco Y.B. / Marrero-Ponce Y. / Prieto P.J. / Salgado J. / García Y. / Sotomayor-Torres C.M.
Language: Inglés
Repository: 61
Subject: 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
Title: Including poroelastic effects in the linear slip theory
Author: Rubino, Jorge Germán / Castromán, Gabriel Alejandro / Müller, Tobias M. / Monachesi, Leonardo Bruno / Zyserman, Fabio Iván / Holliger, Klaus
Language: Inglés
Repository: 37
Subject: Astronomía / Fractures / Attenuation / Modeling / Seismic attributes / Rock physics

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Title: ALUMNO: Krauel, Berta. Spatio-temporal dynamics of virus and bacteria removal in dual-media contact-filtration for drinking water
Author: Nilsen, Vegard / Christensen, Ekaterina / Myrmel, Mette / Heistad, Arve
Language: Inglés
Repository: 30
Subject: Drinking water / Filtration / Virus / Dynamics / Modeling

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Title: Y tú, ¿te proteges del sol? Un proyecto STEM con mirada científica / And you, do you protect yourself from the sun? A STEM project with a scientific perspective
Author: Guitart Mas, Fina / Lope, Silvia
Language: Español
Repository: 30
Subject: Radiación solar / UVA / UVB / Experimentación / Modelización / Proyectos / Solar radiation / Experimentation / Modeling / Project

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Title: La relación superficie- volumen en los homeotermos: experiencia didáctica en el laboratorio de física / The surface-volume ratio in homeothermic: didactic experience in the physics laboratory
Author: Cyrulies, Ernesto / Schamne, Mariana
Language: Español
Repository: 30
Subject: Homeotermos / Modelización / Hardware abierto / Homeothermic / Modeling / Open Hardware

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