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Journal of Chemical Information and Modeling
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May 25, 2012
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study
Jacopo Sgrignani, Alessandra Magistrato
The Journal of Physical Chemistry. B
|
January 25, 2012
The structural role of Mg2+ ions in a class I RNA polymerase ribozyme: a molecular simulation study
Jacopo Sgrignani, Alessandra Magistrato
Frontiers in Molecular Biosciences
|
May 17, 2021
Computational Identification of a Putative Allosteric Binding Pocket in TMPRSS2
Jacopo Sgrignani, Andrea Cavalli
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 16, 2011
Nuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structures
Jacopo Sgrignani, Roberta Pierattelli
Current Computer-Aided Drug Design
|
October 31, 2012
First-principles modeling of biological systems and structure-based drug-design
Jacopo Sgrignani, Alessandra Magistrato
Molecules (Basel, Switzerland)
|
January 12, 2011
Theoretical studies of homogeneous catalysts mimicking nitrogenase
Jacopo Sgrignani, Duvan Franco, Alessandra Magistrato
Journal of Chemical Information and Modeling
|
September 19, 2015
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations
Jacopo Sgrignani, Marcella Iannuzzi, Alessandra Magistrato
Biochemistry
|
August 19, 2016
Insight into the Mechanism of Hydrolysis of Meropenem by OXA-23 Serine-β-lactamase Gained by Quantum Mechanics/Molecular Mechanics Calculations
Jacopo Sgrignani, Giovanni Grazioso, Marco De Amici
Journal of the American Chemical Society
|
April 22, 2015
Molecular Dynamics of Biomolecules through Direct Analysis of Dipolar Couplings
Simon Olsson, Dariusz Ekonomiuk, Jacopo Sgrignani, et al.
Journal of Computer-Aided Molecular Design
|
February 14, 2015
Covalent docking of selected boron-based serine beta-lactamase inhibitors
Jacopo Sgrignani, Beatrice Novati, Giorgio Colombo, et al.
Page
of 7
Search research articles
Search
Showing results (1-10 of 70) with videos related to
Sort By:
Page
of 7
Journal of Chemical Information and Modeling
|
May 25, 2012
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study
Jacopo Sgrignani, Alessandra Magistrato
The Journal of Physical Chemistry. B
|
January 25, 2012
The structural role of Mg2+ ions in a class I RNA polymerase ribozyme: a molecular simulation study
Jacopo Sgrignani, Alessandra Magistrato
Frontiers in Molecular Biosciences
|
May 17, 2021
Computational Identification of a Putative Allosteric Binding Pocket in TMPRSS2
Jacopo Sgrignani, Andrea Cavalli
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 16, 2011
Nuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structures
Jacopo Sgrignani, Roberta Pierattelli
Current Computer-Aided Drug Design
|
October 31, 2012
First-principles modeling of biological systems and structure-based drug-design
Jacopo Sgrignani, Alessandra Magistrato
Molecules (Basel, Switzerland)
|
January 12, 2011
Theoretical studies of homogeneous catalysts mimicking nitrogenase
Jacopo Sgrignani, Duvan Franco, Alessandra Magistrato
Journal of Chemical Information and Modeling
|
September 19, 2015
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations
Jacopo Sgrignani, Marcella Iannuzzi, Alessandra Magistrato
Biochemistry
|
August 19, 2016
Insight into the Mechanism of Hydrolysis of Meropenem by OXA-23 Serine-β-lactamase Gained by Quantum Mechanics/Molecular Mechanics Calculations
Jacopo Sgrignani, Giovanni Grazioso, Marco De Amici
Journal of the American Chemical Society
|
April 22, 2015
Molecular Dynamics of Biomolecules through Direct Analysis of Dipolar Couplings
Simon Olsson, Dariusz Ekonomiuk, Jacopo Sgrignani, et al.
Journal of Computer-Aided Molecular Design
|
February 14, 2015
Covalent docking of selected boron-based serine beta-lactamase inhibitors
Jacopo Sgrignani, Beatrice Novati, Giorgio Colombo, et al.
Page
of 7