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Journal of Chemical Information and Modeling
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December 25, 2009
Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM
Jans Alzate-Morales, Julio Caballero
Journal of Chemical Information and Modeling
|
December 6, 2019
Molecular Insights into the Trapping Effect of Ca<sup>2+</sup> in Protein Kinase A: A Molecular Dynamics Study
Jocelyn Solorza, Rodrigo Recabarren, Jans Alzate-Morales
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2017
Modeling cooperative effects in halogen-bonded infinite linear chains
Francisco Adasme-Carreño, Jans Alzate-Morales, Joel Ireta
The Journal of Physical Chemistry. A
|
January 20, 2025
Computational Study of the 1,3-Dipolar Cycloaddition between Criegee Intermediates and Linalool: Atmospheric Implications
Rocío Durán, César Barrales-Martínez, Jocelyn Solorza, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2023
Effect of strand register in the stability and reactivity of crystals from peptides forming amyloid fibrils
Camila Muñoz-Gutiérrez, Francisco Adasme-Carreño, Jans Alzate-Morales, et al.
Journal of Chemical Information and Modeling
|
June 10, 2024
Understanding the Differences of Danusertib's Residence Time in Aurora Kinases A/B: Dissociation Paths and Key Residues Identified using Conventional and Enhanced Molecular Dynamics Simulations
Felipe Bravo-Moraga, Mauricio Bedoya, Ariela Vergara-Jaque, et al.
Molecules (Basel, Switzerland)
|
October 22, 2013
Synthesis of bistetrahydroquinolines as potential anticholinesterasic agents by double Diels-Alder reactions
Yorley Duarte, Margarita Gutiérrez, Luis Astudillo, et al.
Molecules (Basel, Switzerland)
|
February 15, 2018
On the Reaction Mechanism of the 3,4-Dimethoxybenzaldehyde Formation from 1-(3',4'-Dimethoxyphenyl)Propene
Sebastián Cuesta, Josefa Arias, Felipe Gallegos, et al.
ACS Omega
|
May 5, 2025
Computational Estimation of Residence Time on Roniciclib and Its Derivatives against CDK2: Extending the Use of Classical and Enhanced Molecular Dynamics Simulations
Felipe Bravo-Moraga, Mauricio Bedoya, Kirill Zinovjev, et al.
The Journal of Physical Chemistry. B
|
July 21, 2025
Molecular Insights into Phosphonium-Based Ionic Liquid Extraction of Phenolic Pollutants from Aqueous Solutions
Mohammad Sadegh Sadeghi Googheri, Samira Hozhabr Araghi, Jans Alzate-Morales, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
December 25, 2009
Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM
Jans Alzate-Morales, Julio Caballero
Journal of Chemical Information and Modeling
|
December 6, 2019
Molecular Insights into the Trapping Effect of Ca<sup>2+</sup> in Protein Kinase A: A Molecular Dynamics Study
Jocelyn Solorza, Rodrigo Recabarren, Jans Alzate-Morales
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2017
Modeling cooperative effects in halogen-bonded infinite linear chains
Francisco Adasme-Carreño, Jans Alzate-Morales, Joel Ireta
The Journal of Physical Chemistry. A
|
January 20, 2025
Computational Study of the 1,3-Dipolar Cycloaddition between Criegee Intermediates and Linalool: Atmospheric Implications
Rocío Durán, César Barrales-Martínez, Jocelyn Solorza, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2023
Effect of strand register in the stability and reactivity of crystals from peptides forming amyloid fibrils
Camila Muñoz-Gutiérrez, Francisco Adasme-Carreño, Jans Alzate-Morales, et al.
Journal of Chemical Information and Modeling
|
June 10, 2024
Understanding the Differences of Danusertib's Residence Time in Aurora Kinases A/B: Dissociation Paths and Key Residues Identified using Conventional and Enhanced Molecular Dynamics Simulations
Felipe Bravo-Moraga, Mauricio Bedoya, Ariela Vergara-Jaque, et al.
Molecules (Basel, Switzerland)
|
October 22, 2013
Synthesis of bistetrahydroquinolines as potential anticholinesterasic agents by double Diels-Alder reactions
Yorley Duarte, Margarita Gutiérrez, Luis Astudillo, et al.
Molecules (Basel, Switzerland)
|
February 15, 2018
On the Reaction Mechanism of the 3,4-Dimethoxybenzaldehyde Formation from 1-(3',4'-Dimethoxyphenyl)Propene
Sebastián Cuesta, Josefa Arias, Felipe Gallegos, et al.
ACS Omega
|
May 5, 2025
Computational Estimation of Residence Time on Roniciclib and Its Derivatives against CDK2: Extending the Use of Classical and Enhanced Molecular Dynamics Simulations
Felipe Bravo-Moraga, Mauricio Bedoya, Kirill Zinovjev, et al.
The Journal of Physical Chemistry. B
|
July 21, 2025
Molecular Insights into Phosphonium-Based Ionic Liquid Extraction of Phenolic Pollutants from Aqueous Solutions
Mohammad Sadegh Sadeghi Googheri, Samira Hozhabr Araghi, Jans Alzate-Morales, et al.
Page
of 4