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Journal of Chemical Information and Modeling
|
April 28, 2025
Synthon-Based Strategies Exploiting Molecular Similarity and Protein-Ligand Interactions for Efficient Screening of Ultra-Large Chemical Libraries
Brian Medel-Lacruz, Albert Herrero, Fernando Martín, et al.
Angewandte Chemie (International Ed. in English)
|
February 20, 2020
On the Binding of Congo Red to Amyloid Fibrils
Alba Espargaró, Salomé Llabrés, Sven J Saupe, et al.
Proteins
|
November 10, 2009
Unraveling the molecular basis for ligand binding in truncated hemoglobins: the trHbO Bacillus subtilis case
Leonardo Boechi, Pau Arroyo Mañez, F Javier Luque, et al.
The Journal of Organic Chemistry
|
April 14, 2018
Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene
Pelayo Camps, David Lozano, Carla Barbaraci, et al.
The Journal of Physical Chemistry. B
|
December 17, 2019
Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives
Antonio Viayna, Salvatore G Antermite, Modesto de Candia, et al.
Journal of Computer-Aided Molecular Design
|
October 12, 2010
Molecular modeling of class I and II alleles of the major histocompatibility complex in Salmo salar
Constanza Cárdenas, Axel Bidon-Chanal, Pablo Conejeros, et al.
Biochemistry
|
August 23, 2008
A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion
Laura L Perissinotti, Marcelo A Marti, Fabio Doctorovich, et al.
Biochimica Et Biophysica Acta
|
April 16, 2013
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2
Francesca Spyrakis, Fátima Lucas, Axel Bidon-Chanal, et al.
Journal of Chemical Theory and Computation
|
September 24, 2013
Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters
Marie Zgarbová, F Javier Luque, Jiří Sponer, et al.
Journal of Chemical Information and Modeling
|
May 4, 2023
Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits
Javier Vázquez, Tiziana Ginex, Albert Herrero, et al.
Page
of 22
Search research articles
Search
Showing results (81-90 of 215) with videos related to
Sort By:
Page
of 22
Journal of Chemical Information and Modeling
|
April 28, 2025
Synthon-Based Strategies Exploiting Molecular Similarity and Protein-Ligand Interactions for Efficient Screening of Ultra-Large Chemical Libraries
Brian Medel-Lacruz, Albert Herrero, Fernando Martín, et al.
Angewandte Chemie (International Ed. in English)
|
February 20, 2020
On the Binding of Congo Red to Amyloid Fibrils
Alba Espargaró, Salomé Llabrés, Sven J Saupe, et al.
Proteins
|
November 10, 2009
Unraveling the molecular basis for ligand binding in truncated hemoglobins: the trHbO Bacillus subtilis case
Leonardo Boechi, Pau Arroyo Mañez, F Javier Luque, et al.
The Journal of Organic Chemistry
|
April 14, 2018
Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene
Pelayo Camps, David Lozano, Carla Barbaraci, et al.
The Journal of Physical Chemistry. B
|
December 17, 2019
Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives
Antonio Viayna, Salvatore G Antermite, Modesto de Candia, et al.
Journal of Computer-Aided Molecular Design
|
October 12, 2010
Molecular modeling of class I and II alleles of the major histocompatibility complex in Salmo salar
Constanza Cárdenas, Axel Bidon-Chanal, Pablo Conejeros, et al.
Biochemistry
|
August 23, 2008
A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion
Laura L Perissinotti, Marcelo A Marti, Fabio Doctorovich, et al.
Biochimica Et Biophysica Acta
|
April 16, 2013
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2
Francesca Spyrakis, Fátima Lucas, Axel Bidon-Chanal, et al.
Journal of Chemical Theory and Computation
|
September 24, 2013
Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters
Marie Zgarbová, F Javier Luque, Jiří Sponer, et al.
Journal of Chemical Information and Modeling
|
May 4, 2023
Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits
Javier Vázquez, Tiziana Ginex, Albert Herrero, et al.
Page
of 22