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Mini Reviews in Medicinal Chemistry
|
January 1, 2020
Transforming Non-Selective Angiotensin-Converting Enzyme Inhibitors in C- and N-domain Selective Inhibitors by Using Computational Tools
Sergio Alfaro, Carlos Navarro-Retamal, Julio Caballero
Journal of Molecular Modeling
|
October 9, 2024
Shannon entropy variation as a global indicator of electron density contraction at interatomic regions in chemical reactions
César Barrales-Martínez, Rocío Durán, Julio Caballero
Molecular Diversity
|
March 23, 2010
Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
Michael Fernandez, Julio Caballero, Leyden Fernandez, et al.
Journal of Molecular Modeling
|
May 29, 2015
Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors
Alejandro Morales-Bayuelo, Ricardo A Matute, Julio Caballero
Bioorganic & Medicinal Chemistry
|
March 25, 2008
A CoMSIA study on the adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues
Julio Caballero, Michael Fernández, Fernando D González-Nilo
Bioorganic & Medicinal Chemistry
|
May 13, 2008
Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses
Julio Caballero, Michael Fernández, Fernando D González-Nilo
Journal of Computer-Aided Molecular Design
|
October 28, 2018
Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors
Julio Caballero, Alejandro Morales-Bayuelo, Carlos Navarro-Retamal
Chemical Biology & Drug Design
|
February 23, 2007
Quantitative structure-activity relationship modeling of growth hormone secretagogues agonist activity of some tetrahydroisoquinoline 1-carboxamides
Julio Caballero, Fabio M Zampini, Simona Collina, et al.
Frontiers in Molecular Biosciences
|
July 10, 2023
Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking
Luis Castillo-Campos, José Luis Velázquez-Libera, Julio Caballero
International Journal of Molecular Sciences
|
October 3, 2018
Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies
José Luis Velázquez-Libera, Carlos Navarro-Retamal, Julio Caballero
Page
of 14
Search research articles
Search
Showing results (31-40 of 140) with videos related to
Sort By:
Page
of 14
Mini Reviews in Medicinal Chemistry
|
January 1, 2020
Transforming Non-Selective Angiotensin-Converting Enzyme Inhibitors in C- and N-domain Selective Inhibitors by Using Computational Tools
Sergio Alfaro, Carlos Navarro-Retamal, Julio Caballero
Journal of Molecular Modeling
|
October 9, 2024
Shannon entropy variation as a global indicator of electron density contraction at interatomic regions in chemical reactions
César Barrales-Martínez, Rocío Durán, Julio Caballero
Molecular Diversity
|
March 23, 2010
Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
Michael Fernandez, Julio Caballero, Leyden Fernandez, et al.
Journal of Molecular Modeling
|
May 29, 2015
Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors
Alejandro Morales-Bayuelo, Ricardo A Matute, Julio Caballero
Bioorganic & Medicinal Chemistry
|
March 25, 2008
A CoMSIA study on the adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues
Julio Caballero, Michael Fernández, Fernando D González-Nilo
Bioorganic & Medicinal Chemistry
|
May 13, 2008
Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses
Julio Caballero, Michael Fernández, Fernando D González-Nilo
Journal of Computer-Aided Molecular Design
|
October 28, 2018
Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors
Julio Caballero, Alejandro Morales-Bayuelo, Carlos Navarro-Retamal
Chemical Biology & Drug Design
|
February 23, 2007
Quantitative structure-activity relationship modeling of growth hormone secretagogues agonist activity of some tetrahydroisoquinoline 1-carboxamides
Julio Caballero, Fabio M Zampini, Simona Collina, et al.
Frontiers in Molecular Biosciences
|
July 10, 2023
Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking
Luis Castillo-Campos, José Luis Velázquez-Libera, Julio Caballero
International Journal of Molecular Sciences
|
October 3, 2018
Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies
José Luis Velázquez-Libera, Carlos Navarro-Retamal, Julio Caballero
Page
of 14