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1
المؤلفون: Nelida Maria Peruchena, Emilio Angelina, J Leonardo Gómez Chávez, Roxana Noelia Villafañe, M Lucrecia Bogado, Adriano Martín Luchi
المصدر: ACS Omega, Vol 4, Iss 22, Pp 19582-19594 (2019)
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
ACS Omegaمصطلحات موضوعية: chemistry.chemical_classification, Virtual screening, CHARGE DENSITY, General Chemical Engineering, Biological activity, General Chemistry, Computational biology, QM-QTAIM, Cysteine protease, Article, SVM-RFE, purl.org/becyt/ford/1 [https], Scissile bond, Papain, chemistry.chemical_compound, Chemistry, Enzyme, chemistry, Covalent bond, Docking (molecular), purl.org/becyt/ford/1.4 [https], STRUCTURE-BASED DRUG DISCOVERY, QD1-999
وصف الملف: application/pdf
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2
المؤلفون: Glaucio José Gomes, Pedro Augusto Arroyo, Paulo Rodrigo Stival Bittencourt, Michelle Budke Costa, Cleber Antonio Lindino, Nelida Maria Peruchena, M. Fernanda Zalazar, Fernando Reinoldo Scremin
المصدر: ChemistrySelect. 4:3031-3041
مصطلحات موضوعية: Green chemistry, Molecular level, Computational chemistry, Chemistry, Infrared spectroscopy, Density functional theory, General Chemistry, Rate-determining step, ZSM-5 zeolite, Catalysis
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3
المؤلفون: Gladis Laura Sosa, Andre Nicolai Petelski, Josefina Marquez, Silvana Carina Pamies, Nelida Maria Peruchena
المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICETمصطلحات موضوعية: COORDINATION MODES, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Chloride, ANIONS, Coordination complex, purl.org/becyt/ford/1 [https], chemistry.chemical_compound, Amide, medicine, purl.org/becyt/ford/1.4 [https], Physical and Theoretical Chemistry, Methylene, chemistry.chemical_classification, Barbituric acid, Hydrogen bond, DENSITY FUNCTIONAL CALCULATIONS, Interaction energy, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, RECEPTORS, Crystallography, chemistry, Covalent bond, HYDROGEN BONDS, 0210 nano-technology, medicine.drug
وصف الملف: application/pdf
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4
المؤلفون: Emilio Angelina, Marcela Cristina Vettorazzi, Sebastian A. Andujar, Rodrigo D. Tosso, M. Natalia C. Zarycz, Oscar Parravicini, Ricardo D. Enriz, Nelida Maria Peruchena
مصطلحات موضوعية: 010402 general chemistry, 01 natural sciences, DOPAMINE, Computational chemistry, Dopamine, 0103 physical sciences, medicine, Aqueous solution, 010304 chemical physics, biology, NMR CALCULATIONS, Chemistry, Otras Ciencias Químicas, Atoms in molecules, Ciencias Químicas, Active site, BIOLOGICALLY RELEVANT CONFORMATION, General Chemistry, QTAIM ANALYSIS, Ligand (biochemistry), Potential energy, 0104 chemical sciences, Computational Mathematics, POTENTIAL ENERGY SURFACE, Dopamine receptor, Potential energy surface, MOLECULAR INTERACTIONS, biology.protein, CIENCIAS NATURALES Y EXACTAS, medicine.drug
وصف الملف: application/pdf
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5
المؤلفون: Andre Nicolai Petelski, Silvana Carina Pamies, Agustín Gabriel Sejas, Nelida Maria Peruchena, Gladis Laura Sosa
المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICETمصطلحات موضوعية: Físico-Química, Ciencia de los Polímeros, Electroquímica, Supramolecular chemistry, MELAMINE, General Physics and Astronomy, Ionic bonding, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Inclusion compound, purl.org/becyt/ford/1 [https], chemistry.chemical_compound, purl.org/becyt/ford/1.4 [https], Molecule, Physical and Theoretical Chemistry, INCLUSION COMPOUNDS, Hydrogen bond, Atoms in molecules, Ciencias Químicas, CYANURIC ACID, 021001 nanoscience & nanotechnology, 0104 chemical sciences, SUPRAMOLECULES, Crystallography, chemistry, Density functional theory, 0210 nano-technology, Cyanuric acid, CIENCIAS NATURALES Y EXACTAS
وصف الملف: application/pdf
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6
المؤلفون: M. Fernanda Zalazar, Nelida Maria Peruchena, Clara Iris Aymará Alegre, Néstor Damián Cabral, Gonzalo David Romero Ojeda
المصدر: The Journal of Physical Chemistry C. 122:27350-27359
مصطلحات موضوعية: Void (astronomy), Electron density, Materials science, 010405 organic chemistry, Protonation, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Catalysis, Condensed Matter::Materials Science, Carbenium ion, chemistry.chemical_compound, General Energy, Adsorption, chemistry, Chemical physics, Density functional theory, Physical and Theoretical Chemistry, Zeolite
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7Academic Journal
المؤلفون: Ana Melissa Gonzalez Miragliotta, Gonzalo Adrián Ojeda, Romina Belén Gonzalez, Estela Rosa Jara, Gladys Pamela Teibler, Nélida María Peruchena, Ana María Torres
المصدر: Phytomedicine Plus, Vol 4, Iss 3, Pp 100622- (2024)
مصطلحات موضوعية: Anti-hyperglycaemic, Mixture design, Starch overload, Diabetes, Other systems of medicine, RZ201-999
وصف الملف: electronic resource
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8
المؤلفون: Paulo Rodrigo Stival Bittencourt, María Fernanda Zalazar, Nelida Maria Peruchena, Cleber Antonio Lindino, Michelle Budke Costa, Fernando Reinoldo Scremin, Glaucio José Gomes
المصدر: Microporous and Mesoporous Materials. 252:17-28
مصطلحات موضوعية: Green chemistry, Infrared spectroscopy, 02 engineering and technology, 010402 general chemistry, Heterogeneous catalysis, DFT, VIBRATIONAL SPECTROSCOPY, 01 natural sciences, chemistry.chemical_compound, Acetic acid, Adsorption, Organic chemistry, General Materials Science, Zeolite, Beta (finance), GREEN CHEMISTRY, Brønsted acid site, ZEOLITES, Otras Ciencias Químicas, Ciencias Químicas, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, chemistry, HETEROGENEOUS CATALYSIS, Mechanics of Materials, COMBINED TGA-IR, Methanol, 0210 nano-technology, CIENCIAS NATURALES Y EXACTAS, ATR-FTIR
وصف الملف: application/pdf
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9
المؤلفون: Clara Iris Aymará Alegre, Nelida Maria Peruchena, María Fernanda Zalazar, Helton José Alves, Bárbara Bulhões Cazula
المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICETمصطلحات موضوعية: Reaction mechanism, BIFUNCTIONAL CATALYTIC SITE, 010405 organic chemistry, Chemistry, TRANSESTERIFICATION REACTION, HETEROGENEOUS BASIC CATALYSIS, General Chemistry, Transesterification, 010402 general chemistry, Photochemistry, Heterogeneous catalysis, 01 natural sciences, Chemical reaction, DFT, Catalysis, 0104 chemical sciences, purl.org/becyt/ford/1 [https], chemistry.chemical_compound, CONCERTED ADSORPTION, Tetrahedral carbonyl addition compound, purl.org/becyt/ford/1.4 [https], Methanol, Bifunctional
وصف الملف: application/pdf
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10
المؤلفون: Clara Iris Aymará Alegre, Helton José Alves, María Fernanda Zalazar, Bárbara Bulhões Cazula, Nelida Maria Peruchena
المصدر: Molecular Catalysis. 504:111472
مصطلحات موضوعية: Reaction mechanism, biology, 010405 organic chemistry, Chemistry, Process Chemistry and Technology, Atoms in molecules, Active site, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Reaction coordinate, chemistry.chemical_compound, MCM-41, Reagent, biology.protein, Physical chemistry, Physical and Theoretical Chemistry, Bifunctional
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11
المؤلفون: Laura Cecilia Gómez Pamies, María del Rosario Acquisgrana, Jorge Enrique Lozano, Gladis Laura Sosa, Elisa Ines Benitez, Nelida Maria Peruchena
المصدر: International Journal of Food Science & Technology. 51:2151-2156
مصطلحات موضوعية: Otras Ingenierías y Tecnologías, biology, Chemistry, Extraction (chemistry), INGENIERÍAS Y TECNOLOGÍAS, 04 agricultural and veterinary sciences, Sorghum, biology.organism_classification, 040401 food science, Industrial and Manufacturing Engineering, Alimentos y Bebidas, Horticulture, 0404 agricultural biotechnology, Antioxidant activity, Polyphenol, Botany, Starch granule, Four, Nutrient utilisation, Food Science
وصف الملف: application/pdf
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12
المؤلفون: Nelida Maria Peruchena, Adriano Martín Luchi, Emilio Angelina, Ricardo D. Enriz, Sebastian A. Andujar
المصدر: Journal of Physical Organic Chemistry. 29:645-655
مصطلحات موضوعية: inorganic chemicals, Halogen bond, 010405 organic chemistry, Chemistry, Hydrogen bond, Stereochemistry, Organic Chemistry, Charge density, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Molecular dynamics, Halogen, Peptide bond, Homology modeling, Physical and Theoretical Chemistry, Protein secondary structure
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13
المؤلفون: Emilio Angelina, Lucas J. Gutierrez, Ricardo D. Enriz, Lívia Fülöp, Héctor A. Baldoni, Botond Penke, Andrea Gyebrovszki, Nelida Maria Peruchena
المصدر: Journal of Biomolecular Structure and Dynamics. 35:413-426
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Molecular model, Molecular Conformation, Ab initio, Quantitative Structure-Activity Relationship, MOLECULAR SIMULATIONS, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Molecular Docking Simulation, 03 medical and health sciences, Molecular dynamics, Structural Biology, Computational chemistry, mental disorders, Β-SECRETASE, Aspartic Acid Endopeptidases, Humans, Non-covalent interactions, Protein Interaction Domains and Motifs, MOLECULAR MODELING, Molecular Biology, chemistry.chemical_classification, Binding Sites, ALZHEIMER’S DISEASE, Otras Ciencias Químicas, Atoms in molecules, Ciencias Químicas, General Medicine, Combinatorial chemistry, Small molecule, 0104 chemical sciences, 030104 developmental biology, chemistry, Drug Design, Density functional theory, Amyloid Precursor Protein Secretases, EXOSITE-MODULATORS, Peptides, CIENCIAS NATURALES Y EXACTAS
وصف الملف: application/pdf
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14
المؤلفون: Emilio Angelina, Laura C. Leiva, Soledad Bustillo, María E. Garcia Denegri, Nelida Maria Peruchena, Lucrecia Bogado
المصدر: Toxicon. 177:S52
مصطلحات موضوعية: Bothrops alternatus, biology, Snake venom, In silico, Integrin, biology.protein, Toxicology, biology.organism_classification, Molecular biology
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15
مصطلحات موضوعية: Físico-Química, Ciencia de los Polímeros, Electroquímica, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, Measure (mathematics), Molecular physics, Hydrogen halide, symbols.namesake, chemistry.chemical_compound, Pauli exclusion principle, 0103 physical sciences, Physical and Theoretical Chemistry, Polarization (electrochemistry), ENERGY DECOMPOSITION ANALYSIS, Physics, Halogen bond, LEWIS ACID-BASE INTERACTIONS, 010304 chemical physics, Ciencias Químicas, σ-HOLE CONCEPT, Electrostatics, Diatomic molecule, 0104 chemical sciences, chemistry, symbols, HALOGEN BOND, Dispersion (chemistry), CIENCIAS NATURALES Y EXACTAS
وصف الملف: application/pdf
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16
المؤلفون: Emilio Angelina, Stefano Forli, Adriano Martín Luchi, Arthur J. Olson, Nelida Maria Peruchena, Lucrecia Bogado
المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICETمصطلحات موضوعية: 0301 basic medicine, medicine.medical_treatment, Allosteric regulation, Mutant, Molecular Dynamics Simulation, 01 natural sciences, Article, purl.org/becyt/ford/1 [https], 03 medical and health sciences, HIV Protease, Structural Biology, 0103 physical sciences, Drug Discovery, Drug Resistance, Viral, medicine, purl.org/becyt/ford/1.4 [https], ALLOSTERIC INHIBITOR, Binding site, chemistry.chemical_classification, Protease, Binding Sites, 010304 chemical physics, biology, Chemistry, Point mutation, Otras Ciencias Químicas, Organic Chemistry, Wild type, Ciencias Químicas, Active site, HIV Protease Inhibitors, Computer Science Applications, Cell biology, AIDS, 030104 developmental biology, Enzyme, QTAIM, Mutation, biology.protein, Molecular Medicine, MOLECULAR DYNAMICS, PRINCIPAL COMPONENT ANALYSIS, CIENCIAS NATURALES Y EXACTAS, Protein Binding
وصف الملف: application/pdf
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17
المؤلفون: Elisa Ines Benitez, Jorge Enrique Lozano, María del Rosario Acquisgrana, Nelida Maria Peruchena, Gladis Laura Sosa
المصدر: International Journal of Food Science & Technology. 51:920-928
مصطلحات موضوعية: chemistry.chemical_classification, business.industry, media_common.quotation_subject, 04 agricultural and veterinary sciences, Art, 040401 food science, Gluten, Industrial and Manufacturing Engineering, 0404 agricultural biotechnology, chemistry, Brewing, Food science, business, Food Science, media_common
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18
المؤلفون: Nancy María Jimena Martinez Amezaga, Jorge Enrique Lozano, Elisa Ines Benitez, Nelida Maria Peruchena, Gladis Laura Sosa
المصدر: International Journal of Food Science & Technology. 51:1284-1290
مصطلحات موضوعية: STABILITY, Polymer science, Chemistry, BEER, Mineralogy, 04 agricultural and veterinary sciences, 040401 food science, Industrial and Manufacturing Engineering, HYDROCOLLOID, POLYSACCHARIDES, Viscosity, 0404 agricultural biotechnology, Colloidal particle, VISCOSITY, Food Science
وصف الملف: application/pdf
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19
المؤلفون: Exequiel Ernesto Barrera Guisasola, Nelida Maria Peruchena, Ricardo D. Enriz, Lucas J. Gutierrez
المصدر: Molecular Simulation. 42:196-207
مصطلحات موضوعية: 0301 basic medicine, Stereochemistry, General Chemical Engineering, Peptide, Molecular mechanics, QM/MM, 03 medical and health sciences, Residue (chemistry), Molecular recognition, medicine, General Materials Science, Bapineuzumab, chemistry.chemical_classification, AMYLOID-BETA PEPTIDE, Otras Ciencias Químicas, Ciencias Químicas, QTAIM ANALYSIS, General Chemistry, Condensed Matter Physics, Amino acid, 030104 developmental biology, chemistry, ALZHEIMERS DISEASE, Modeling and Simulation, Paratope, ONIOM CALCULATIONS, CIENCIAS NATURALES Y EXACTAS, Information Systems, medicine.drug
وصف الملف: application/pdf
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20
المؤلفون: Nelida Maria Peruchena, Gonzalo David Romero Ojeda, María Fernanda Zalazar, Esteban Nadal Paredes, Néstor Damián Cabral
المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICETمصطلحات موضوعية: QUANTUM THEORY OF ATOMS IN MOLECULES, Físico-Química, Ciencia de los Polímeros, Electroquímica, 02 engineering and technology, 010402 general chemistry, Photochemistry, Heterogeneous catalysis, 01 natural sciences, DFT, Catalysis, purl.org/becyt/ford/1 [https], chemistry.chemical_compound, Adsorption, purl.org/becyt/ford/1.4 [https], Physical and Theoretical Chemistry, Zeolite, Benzene, CARBENIUM IONS, HOST-GUEST INTERACTIONS, Otras Ciencias Químicas, Atoms in molecules, Ciencias Químicas, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, Química Orgánica, chemistry, HETEROGENEOUS CATALYSIS, Density functional theory, ZSM-5, 0210 nano-technology, CIENCIAS NATURALES Y EXACTAS
وصف الملف: application/pdf
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