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Journal of Chemical Theory and Computation
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July 11, 2024
Influence of the Water Model on the Structure and Interactions of the GPR40 Protein with the Lipid Membrane and the Solvent: Rigid versus Flexible Water Models
Jorge Alberto Aguilar-Pineda, Minerva González-Melchor
ACS Omega
|
November 24, 2025
Effect of a Low Electrostatic Environment on the Helical Structures of Peptides and Proteins Using Flexible Water Models: An In Silico Study
Jorge Alberto Aguilar-Pineda, Jesús Pérez-Aguilar, Minerva González-Melchor
Polymers
|
July 9, 2022
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>
Margot Paco-Chipana, Camilo Febres-Molina, Jorge Alberto Aguilar-Pineda, et al.
Journal of Chemical Theory and Computation
|
October 3, 2018
Force Field Parametrization from the Hirshfeld Molecular Electronic Density
Alexander Pérez de la Luz, Jorge Alberto Aguilar-Pineda, José Guillermo Méndez-Bermúdez, et al.
The Journal of Physical Chemistry. B
|
January 11, 2018
Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility
Edgar Núñez-Rojas, Jorge Alberto Aguilar-Pineda, Alexander Pérez de la Luz, et al.
Molecules (Basel, Switzerland)
|
February 15, 2022
In Silico Analysis of Metabolites from Peruvian Native Plants as Potential Therapeutics against Alzheimer's Disease
Luis Daniel Goyzueta-Mamani, Haruna Luz Barazorda-Ccahuana, Miguel Angel Chávez-Fumagalli, et al.
Biorxiv : the Preprint Server for Biology
|
August 9, 2020
Structural and functional analysis of female sex hormones against SARS-Cov2 cell entry
Jorge Alberto Aguilar-Pineda, Mazen Albaghdadi, Wanlin Jiang, et al.
Molecules (Basel, Switzerland)
|
January 25, 2025
Anticonvulsant Effects of Synthetic <i>N</i>-(3-Methoxybenzyl)oleamide and <i>N</i>-(3-Methoxybenzyl)linoleamide Macamides: An In Silico and In Vivo Study
Karin Jannet Vera-López, Jorge Alberto Aguilar-Pineda, Rodrigo Martín Moscoso-Palacios, et al.
Biomolecules
|
February 25, 2023
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
Jorge Alberto Aguilar-Pineda, Camilo Febres-Molina, Cinthia C Cordova-Barrios, et al.
Biomolecules
|
April 23, 2022
In Silico Analysis of the Antagonist Effect of Enoxaparin on the ApoE4-Amyloid-Beta (A<i>β</i>) Complex at Different pH Conditions
Jorge Alberto Aguilar-Pineda, Silvana G Paco-Coralla, Camilo Febres-Molina, et al.
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
July 11, 2024
Influence of the Water Model on the Structure and Interactions of the GPR40 Protein with the Lipid Membrane and the Solvent: Rigid versus Flexible Water Models
Jorge Alberto Aguilar-Pineda, Minerva González-Melchor
ACS Omega
|
November 24, 2025
Effect of a Low Electrostatic Environment on the Helical Structures of Peptides and Proteins Using Flexible Water Models: An In Silico Study
Jorge Alberto Aguilar-Pineda, Jesús Pérez-Aguilar, Minerva González-Melchor
Polymers
|
July 9, 2022
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>
Margot Paco-Chipana, Camilo Febres-Molina, Jorge Alberto Aguilar-Pineda, et al.
Journal of Chemical Theory and Computation
|
October 3, 2018
Force Field Parametrization from the Hirshfeld Molecular Electronic Density
Alexander Pérez de la Luz, Jorge Alberto Aguilar-Pineda, José Guillermo Méndez-Bermúdez, et al.
The Journal of Physical Chemistry. B
|
January 11, 2018
Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility
Edgar Núñez-Rojas, Jorge Alberto Aguilar-Pineda, Alexander Pérez de la Luz, et al.
Molecules (Basel, Switzerland)
|
February 15, 2022
In Silico Analysis of Metabolites from Peruvian Native Plants as Potential Therapeutics against Alzheimer's Disease
Luis Daniel Goyzueta-Mamani, Haruna Luz Barazorda-Ccahuana, Miguel Angel Chávez-Fumagalli, et al.
Biorxiv : the Preprint Server for Biology
|
August 9, 2020
Structural and functional analysis of female sex hormones against SARS-Cov2 cell entry
Jorge Alberto Aguilar-Pineda, Mazen Albaghdadi, Wanlin Jiang, et al.
Molecules (Basel, Switzerland)
|
January 25, 2025
Anticonvulsant Effects of Synthetic <i>N</i>-(3-Methoxybenzyl)oleamide and <i>N</i>-(3-Methoxybenzyl)linoleamide Macamides: An In Silico and In Vivo Study
Karin Jannet Vera-López, Jorge Alberto Aguilar-Pineda, Rodrigo Martín Moscoso-Palacios, et al.
Biomolecules
|
February 25, 2023
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
Jorge Alberto Aguilar-Pineda, Camilo Febres-Molina, Cinthia C Cordova-Barrios, et al.
Biomolecules
|
April 23, 2022
In Silico Analysis of the Antagonist Effect of Enoxaparin on the ApoE4-Amyloid-Beta (A<i>β</i>) Complex at Different pH Conditions
Jorge Alberto Aguilar-Pineda, Silvana G Paco-Coralla, Camilo Febres-Molina, et al.
Page
of 2