| Tipo Producción |
Título |
Autor |
Año de Producción |
DOI |
Revista |
Fuente |
Cuartil de ScimagoJR o JCR* |
|
Journal - Article
|
Study of the Rv1417 and Rv2617c Membrane Proteins and Their Interactions with Nicotine Derivatives as Potential Inhibitors of Erp Virulence-Associated Factor in <i>Mycobacterium tuberculosis</i>: An In Silico Approach
|
Aguilar-Pineda, Jorge Alberto | Febres-Molina, Camilo | Cordova-Barrios, Cinthia C. | Campos-Olazaval, Lizbeth M. | Del-Carpio-Martinez, Bruno A. | Ayqui-Cueva, Flor | Gamero-Begazo, Pamela L. | Gomez, Badhin
|
2023
|
10.3390/BIOM13020248
|
BIOMOLECULES
|
|
2023: No disponible**, 2020: Q2
|
|
Book Chapter
|
Chapter 1: QM/MM with Auxiliary DFT in deMon2k
|
Samaniego-Rojas J.D.
|
2022
|
10.1039/9781839164668-00001
|
|
|
|
|
Journal - Article
|
Theoretical study of the CO Oxidation with O<sub>2</sub> using Au-Pd and Au-Pt catalysts
|
Forero, Andres | Joya, Sergio | Cachon, Kevin | Bernal, Andres | Gomez, Badhin | Sanchez-Velandia, Julian E. | Mejia, Sol M.
|
2022
|
10.15446/REV.COLOMB.QUIM.V51N1.101015
|
REVISTA COLOMBIANA DE QUIMICA
|
|
S/C***
|
|
Journal - Article
|
Theoretical Study at the Molecular Mechanics Level of the Interaction of Tetracycline and Chloramphenicol with the Antibiotic Receptors Present in <i>Enterococcus faecalis</i> (Q839F7) and <i>Streptococcus mutans</i> (Q8DS20)
|
Alberto Figueroa-Banda, Rufo | Francis Figueroa-Castellanos, Kimberly | Angelica Chavez-Oblitas, Edith | Elena Guillen-Nunez, Maria | Ayqui-Cueva, Flor | Del-Carpio-M, Bruno A. | Bellido-Vallejo, Karen L. | Gomez, Badhin
|
2022
|
10.3390/ANTIBIOTICS11111640
|
ANTIBIOTICS-BASEL
|
|
2022: No disponible**, 2020: Q2
|
|
Journal - Article
|
In Silico Analysis of the Antagonist Effect of Enoxaparin on the ApoE4-Amyloid-Beta (Aβ) Complex at Different pH Conditions
|
Aguilar-Pineda, Jorge Alberto | Paco-Coralla, Silvana G. | Febres-Molina, Camilo | Gamero-Begazo, Pamela L. | Shrivastava, Pallavi | Vera-Lopez, Karin J. | Davila-Del-Carpio, Gonzalo | Lopez-C, Patricia | Gomez, Badhin | Lino Cardenas, Christian L.
|
2022
|
10.3390/BIOM12040499
|
BIOMOLECULES
|
|
2022: No disponible**, 2020: Q2
|
|
Journal - Article
|
Novel In Silico Insights into Rv1417 and Rv2617c as Potential Protein Targets: The Importance of the Medium on the Structural Interactions with Exported Repetitive Protein (Erp) of <i>Mycobacterium tuberculosis</i>
|
Paco-Chipana, Margot | Febres-Molina, Camilo | Alberto Aguilar-Pineda, Jorge | Gomez, Badhin
|
2022
|
10.3390/POLYM14132577
|
POLYMERS
|
|
2022: No disponible**, 2020: Q1
|
|
Journal - Article
|
Identification and Characterization of Peruvian Native Bacterial Strains as Bioremediation of Hg-Polluted Water and Soils Due to Artisanal and Small-Scale Gold Mining in the Secocha Annex, Arequipa
|
Fernandez-F, Fernando | Lopez-C, Patricia | Febres-Molina, Camilo | Gamero-Begazo, Pamela L. | Gomez, Badhin | Bernabe-Ortiz, Julio Cesar | Caceres-Huambo, Alberto | Aguilar-Pineda, Jorge Alberto
|
2022
|
10.3390/SU14052669
|
SUSTAINABILITY
|
|
2022: No disponible**, 2020: Q2
|
|
Artículo en revista científica
|
Li<inf>8</inf>Si<inf>8</inf>, Li<inf>10</inf>Si<inf>9</inf>, and Li<inf>12</inf>Si<inf>10</inf>: Assemblies of Lithium-Silicon Aromatic Units
|
Manrique-de-la-Cuba M.F.
|
2021
|
10.1002/CPHC.202001051
|
ChemPhysChem
|
|
Q1
|
|
Journal - Article
|
Structural and Functional Analysis of Female Sex Hormones against SARS-CoV-2 Cell Entry
|
Aguilar-Pineda, Jorge Alberto | Albaghdadi, Mazen | Jiang, Wanlin | Vera-Lopez, Karin J. | Nieto-Montesinos, Rita | Alvarez, Karla Lucia F. | Davila Del-Carpio, Gonzalo | Gomez, Badhin | Lindsay, Mark E. | Malhotra, Rajeev | Lino Cardenas, Christian L.
|
2021
|
10.3390/IJMS222111508
|
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
|
|
2021: No disponible**, 2020: Q1
|
|
Journal - Article
|
Structural and Energetic Affinity of Annocatacin B with ND1 Subunit of the Human Mitochondrial Respiratory Complex I as a Potential Inhibitor: An In Silico Comparison Study with the Known Inhibitor Rotenone
|
Febres-Molina, Camilo | Aguilar-Pineda, Jorge A. | Gamero-Begazo, Pamela L. | Barazorda-Ccahuana, Haruna L. | Valencia, Diego E. | Vera-Lopez, Karin J. | Davila-Del-Carpio, Gonzalo | Gomez, Badhin
|
2021
|
10.3390/POLYM13111840
|
POLYMERS
|
|
2021: No disponible**, 2020: Q1
|
|
Proceedings Paper
|
Amyloid beta oligomers: how pH influences over trimer and pentamer structures?
|
Paredes-Rosan, Carla A.
|
2020
|
10.1007/s00894-019-4247-5
|
JOURNAL OF MOLECULAR MODELING
|
|
No Aplica
|
|
Article
|
Heat-Stable Hazelnut Profilin: Molecular Dynamics Simulations and Immunoinformatics Analysis
|
Barazorda-Ccahuana, Haruna L.
|
2020
|
10.3390/polym12081742
|
Polymers
|
|
Q1
|
|
JOURNAL_ARTICLE
|
Heat-Stable Hazelnut Profilin: Molecular Dynamics Simulations and Immunoinformatics Analysis
|
|
2020
|
10.3390/polym12081742
|
|
Badhin Gómez a través de ORCID
|
|
|
JOURNAL_ARTICLE
|
Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations
|
|
2020
|
10.3390/polym12112713
|
|
Badhin Gómez a través de ORCID
|
|
|
JOURNAL_ARTICLE
|
Effect of substituents on 3(S)-amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one: a DFT study
|
|
2019
|
10.1007/s00214-018-2403-0
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
Effect of substituents on 3(S)-amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one: a DFT study
|
Lira, Jeronimo
|
2019
|
10.1007/s00214-018-2403-0
|
THEORETICAL CHEMISTRY ACCOUNTS
|
|
Q4
|
|
Artículo en revista científica
|
Effect of substituents on 3(S)-amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one: a DFT study
|
Lira J.
|
2019
|
10.1007/s00214-018-2403-0
|
Theoretical Chemistry Accounts
|
|
Q3
|
|
Article
|
Molecular mechanics of caffeic acid in food profilin allergens
|
Barazorda-Ccahuana, Haruna L.
|
2019
|
10.1007/s00214-018-2404-z
|
THEORETICAL CHEMISTRY ACCOUNTS
|
|
Q4
|
|
Artículo en revista científica
|
Molecular mechanics of caffeic acid in food profilin allergens
|
Barazorda-Ccahuana H.
|
2019
|
10.1007/s00214-018-2404-z
|
Theoretical Chemistry Accounts
|
|
Q3
|
|
JOURNAL_ARTICLE
|
Molecular mechanics of caffeic acid in food profilin allergens
|
|
2019
|
10.1007/s00214-018-2404-z
|
|
ResearcherID a través de ORCID
|
|
|
JOURNAL_ARTICLE
|
Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves
|
|
2019
|
10.1007/s00894-019-4083-7
|
|
Badhin Gómez a través de ORCID
|
|
|
Proceedings Paper
|
Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves
|
Manrique-de-la-Cuba, Maria F.
|
2019
|
10.1007/s00894-019-4083-7
|
JOURNAL OF MOLECULAR MODELING
|
|
No Aplica
|
|
Artículo en revista científica
|
Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves
|
Manrique-de-la-Cuba M.
|
2019
|
10.1007/s00894-019-4083-7
|
Journal of Molecular Modeling
|
|
Q3
|
|
Artículo en revista científica
|
Nanoformulation for potential topical delivery of Vismodegib in skin cancer treatment
|
Calienni M.
|
2019
|
10.1016/j.ijpharm.2019.05.002
|
International Journal of Pharmaceutics
|
|
Q1
|
|
Article
|
Nanoformulation for potential topical delivery of Vismodegib in skin cancer treatment
|
Natalia Calienni, Maria
|
2019
|
10.1016/j.ijpharm.2019.05.002
|
INTERNATIONAL JOURNAL OF PHARMACEUTICS
|
|
Q1
|
|
JOURNAL_ARTICLE
|
Nanoformulation for potential topical delivery of Vismodegib in skin cancer treatment
|
|
2019
|
10.1016/j.ijpharm.2019.05.002
|
|
Badhin Gómez a través de ORCID
|
|
|
Article
|
Molecular Dynamics Simulation of Kynurenine Aminotransferase Type II with Nicotine as a Ligand: A Possible Biochemical Role of Nicotine in Schizophrenia
|
Barazorda-Ccahuana, Haruna L.
|
2019
|
10.1021/acsomega.8b02287
|
ACS Omega
|
|
Q2
|
|
Artículo en revista científica
|
Molecular Dynamics Simulation of Kynurenine Aminotransferase Type II with Nicotine as a Ligand: A Possible Biochemical Role of Nicotine in Schizophrenia
|
Barazorda-Ccahuana H.
|
2019
|
10.1021/acsomega.8b02287
|
ACS Omega
|
|
Q1
|
|
JOURNAL_ARTICLE
|
Molecular Dynamics Simulation of Kynurenine Aminotransferase Type II with Nicotine as a Ligand: A Possible Biochemical Role of Nicotine in Schizophrenia
|
|
2019
|
10.1021/acsomega.8b02287
|
|
ResearcherID a través de ORCID
|
|
|
JOURNAL_ARTICLE
|
Amyloid beta oligomers: how pH influences over trimer and pentamer structures?
|
|
2019
|
|
|
Badhin Gómez a través de ORCID
|
|
|
Artículo en revista científica
|
Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics
|
Barazorda-Ccahuana H.
|
2018
|
10.1021/acsomega.8b02288
|
ACS Omega
|
|
Q1
|
|
Article
|
Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics
|
Barazorda-Ccahuana, Haruna L.
|
2018
|
10.1021/acsomega.8b02288
|
ACS Omega
|
|
Q2
|
|
Article
|
Intramolecular charge transfer model in fluorescence processes
|
Piedras, Alejandro
|
2016
|
10.1007/s00214-016-1997-3
|
THEORETICAL CHEMISTRY ACCOUNTS
|
|
Q3
|
|
Artículo en revista científica
|
Intramolecular charge transfer model in fluorescence processes
|
Piedras A.
|
2016
|
10.1007/s00214-016-1997-3
|
Theoretical Chemistry Accounts
|
|
Q3
|
|
JOURNAL_ARTICLE
|
Intramolecular charge transfer model in fluorescence processes
|
|
2016
|
10.1007/s00214-016-1997-3
|
|
ResearcherID a través de ORCID
|
|
|
Artículo en revista científica
|
An experimental and theoretical correlation to account for the effect of LiPF6 concentration on the ionic conductivity of poly(poly (ethylene glycol) methacrylate)
|
Nava D.
|
2016
|
10.1016/j.ssi.2016.03.020
|
Solid State Ionics
|
|
Q1
|
|
JOURNAL_ARTICLE
|
An experimental and theoretical correlation to account for the effect of LiPF6 concentration on the ionic conductivity of poly(poly (ethylene glycol) methacrylate)
|
|
2016
|
10.1016/j.ssi.2016.03.020
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
An experimental and theoretical correlation to account for the effect of LiPF6 concentration on the ionic conductivity of poly(poly (ethylene glycol) methacrylate)
|
Nava, D. P.
|
2016
|
10.1016/j.ssi.2016.03.020
|
SOLID STATE IONICS
|
|
Q2
|
|
MasterThesis
|
Determinación de los Parámetros Fisicoquimicos Optimos para la Recuperación de Queratina de Fibras de Vicugna pacos (Alpaca) Mediante el uso de líquidos Ionicos Proticos
|
Angulo Vargas, Sheyla Joseline
|
2016
|
|
|
|
No Aplica
|
|
MasterThesis
|
Remoción de Arsénico (v) en Medio Acuoso Utilizando Sillar Revestido con Oxidos de Hierro.
|
Velarde Apaza, Leslie Diana
|
2016
|
|
|
|
No Aplica
|
|
Article
|
Theoretical Study of a New Group of Corrosion Inhibitors
|
Zarrouk, A.
|
2015
|
|
|
|
S/C***
|
|
Artículo en revista científica
|
Synthesis, characterization, and theoretical insights of green chitosan derivatives presenting enhanced Li+ ionic conductivity
|
Cardoso J.
|
2015
|
10.1021/jp5128699
|
Journal of Physical Chemistry C
|
|
Q1
|
|
JOURNAL_ARTICLE
|
Synthesis, Characterization, and Theoretical Insights of Green Chitosan Derivatives Presenting Enhanced Li+ Ionic Conductivity
|
|
2015
|
10.1021/jp5128699
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
Synthesis, Characterization, and Theoretical Insights of Green Chitosan Derivatives Presenting Enhanced Li+ Ionic Conductivity
|
Cardoso, J.
|
2015
|
10.1021/jp5128699
|
Journal of Physical Chemistry C
|
|
Q1
|
|
Article
|
Evaluation of hardness in Kohn-Sham theory with local density and generalized gradient approximations
|
Gazquez, Jose L.
|
2014
|
|
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
|
|
Q3
|
|
JOURNAL_ARTICLE
|
Evaluation of hardness in Kohn-Sham theory with local density and generalized gradient approximations
|
|
2014
|
|
|
ResearcherID a través de ORCID
|
|
|
Artículo en revista científica
|
Evaluation of hardness in Kohn-Sham theory with local density and generalized gradient approximations
|
Gázquez J.
|
2014
|
|
Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry
|
|
Q4
|
|
JOURNAL_ARTICLE
|
Electrochemical and XPS studies of decylamides of alpha-amino acids adsorption on carbon steel in acidic environment
|
|
2006
|
10.1016/j.apsusc.2005.04.040
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
Electrochemical and XPS studies of decylamides of alpha-amino acids adsorption on carbon steel in acidic environment
|
Olivares, O
|
2006
|
10.1016/j.apsusc.2005.04.040
|
|
|
S/C***
|
|
Artículo en revista científica
|
Electrochemical and XPS studies of decylamides of α-amino acids adsorption on carbon steel in acidic environment
|
Olivares O.
|
2006
|
10.1016/j.apsusc.2005.04.040
|
Applied Surface Science
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Molecular fragments in density functional theory
|
|
2006
|
10.1021/jp056421q
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
Molecular fragments in density functional theory
|
Gazquez, JL
|
2006
|
10.1021/jp056421q
|
|
|
S/C***
|
|
Artículo en revista científica
|
Molecular fragments in density functional theory
|
Gázquez J.
|
2006
|
10.1021/jp056421q
|
Journal of Physical Chemistry A
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Quantum chemical study of the inhibitive properties of 2-pyridyl-azoles
|
|
2006
|
10.1021/jp057143y
|
|
ResearcherID a través de ORCID
|
|
|
Artículo en revista científica
|
Quantum chemical study of the inhibitive properties of 2-pyridyl-azoles
|
Gómez B.
|
2006
|
10.1021/jp057143y
|
Journal of Physical Chemistry B
|
|
S/C***
|
|
Article
|
Quantum chemical study of the inhibitive properties of 2-pyridyl-azoles
|
Gomez, B
|
2006
|
10.1021/jp057143y
|
|
|
S/C***
|
|
Article
|
Cracking of n-heptane in HZSM-5 zeolite
|
Gomez, B
|
2005
|
10.1016/j.theochem.2005.08.004
|
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Cracking of n-heptane in HZSM-5 zeolite
|
|
2005
|
10.1016/j.theochem.2005.08.004
|
|
ResearcherID a través de ORCID
|
|
|
Artículo en revista científica
|
Cracking of n-heptane in HZSM-5 zeolite
|
Gómez B.
|
2005
|
10.1016/j.theochem.2005.08.004
|
Journal of Molecular Structure: THEOCHEM
|
|
S/C***
|
|
Article
|
A theoretical study of dibenzothiophene absorbed on open-ended carbon nanotubes
|
Gomez, B
|
2005
|
10.1021/jp050615o
|
|
|
S/C***
|
|
Artículo en revista científica
|
A theoretical study of dibenzothiophene absorbed on open-ended carbon nanotubes
|
Gómez B.
|
2005
|
10.1021/jp050615o
|
Journal of Physical Chemistry B
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
A theoretical study of dibenzothiophene absorbed on open-ended carbon nanotubes
|
|
2005
|
10.1021/jp050615o
|
|
ResearcherID a través de ORCID
|
|
|
Artículo en revista científica
|
Theoretical study of a new group of corrosion inhibitors
|
Gómez B.
|
2005
|
10.1021/jp052188k
|
Journal of Physical Chemistry A
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Theoretical study of a new group of corrosion inhibitors
|
|
2005
|
10.1021/jp052188k
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
Theoretical study of a new group of corrosion inhibitors
|
Gomez, B
|
2005
|
10.1021/jp052188k
|
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Microwave-assisted Synthesis, Crystal and Molecular Structure, and DFT Study of 1-(2-aminoethyl)-2-imidazolidinethione
|
|
2005
|
|
|
ResearcherID a través de ORCID
|
|
|
Proceedings Paper
|
The maximum hardness and minimum polarizability principles as the basis for the study of reaction profiles
|
Gomez, B
|
2003
|
10.1007/s00214-003-0497-4
|
|
|
|
|
Conference Paper
|
The maximum hardness and minimum polarizability principles as the basis for the study of reaction profiles
|
Gómez B.
|
2003
|
10.1007/s00214-003-0497-4
|
Theoretical Chemistry Accounts
|
|
|
|
JOURNAL_ARTICLE
|
The maximum hardness and minimum polarizability principles as the basis for the study of reaction profiles
|
|
2003
|
10.1007/s00214-003-0497-4
|
|
ResearcherID a través de ORCID
|
|
|
JOURNAL_ARTICLE
|
A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles
|
|
2002
|
10.1021/jp020437o
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles
|
Gomez, B
|
2002
|
10.1021/jp020437o
|
|
|
S/C***
|
|
Artículo en revista científica
|
A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles
|
Gómez B.
|
2002
|
10.1021/jp020437o
|
Journal of Physical Chemistry A
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function
|
|
2002
|
10.1021/jp025958q
|
|
ResearcherID a través de ORCID
|
|
|
Article
|
The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function
|
Chamorro, E
|
2002
|
10.1021/jp025958q
|
|
|
S/C***
|
|
Artículo en revista científica
|
The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function
|
Chamorro E.
|
2002
|
10.1021/jp025958q
|
Journal of Physical Chemistry A
|
|
S/C***
|
|
Article
|
Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene
|
Chamorro, E
|
2001
|
|
|
|
S/C***
|
|
Article
|
Scrutiny of the HSAB principle in some representative acid-base reactions
|
Chattaraj, PK
|
2001
|
10.1021/jp011767w
|
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Scrutiny of the HSAB principle in some representative acid-base reactions
|
|
2001
|
10.1021/jp011767w
|
|
ResearcherID a través de ORCID
|
|
|
Artículo en revista científica
|
Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene
|
Chamorro E.
|
2001
|
10.1063/1.1328397
|
Journal of Chemical Physics
|
|
S/C***
|
|
JOURNAL_ARTICLE
|
Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene
|
|
2001
|
Doi 10.1063/1.1328397
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ResearcherID a través de ORCID
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Artículo en revista científica
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Scrutiny of the HSAB principle in some representative acid-base reactions
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Chattaraj P.
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2001
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Journal of Physical Chemistry A
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S/C***
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Article
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Woodward-Hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and ab initio SCF studies
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Chattaraj, PK
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2000
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S/C***
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Artículo en revista científica
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Woodward-Hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and Ab initio SCF studies
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Chattaraj P.
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2000
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10.1021/ja992337a
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Journal of the American Chemical Society
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S/C***
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JOURNAL_ARTICLE
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Woodward-Hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and ab initio SCF studies
|
|
2000
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DOI 10.1021/ja992337a
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|
ResearcherID a través de ORCID
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