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Expert Opinion on Drug Discovery
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June 13, 2017
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era
Angelo Spinello, Alessandra Magistrato
Journal of Chemical Theory and Computation
|
November 21, 2015
The Right Answer for the Right Electrostatics: Force Field Methods Are Able to Describe Relative Energies of DNA Guanine Quadruplexes
Jörg Grunenberg, Giampaolo Barone, Angelo Spinello
Current Opinion in Chemical Biology
|
August 12, 2020
All-atom simulations to studying metallodrugs/target interactions
Pavel Janoš, Angelo Spinello, Alessandra Magistrato
Expert Opinion on Drug Discovery
|
July 25, 2019
Recent advances in computational design of potent aromatase inhibitors: open-eye on endocrine-resistant breast cancers
Angelo Spinello, Ida Ritacco, Alessandra Magistrato
Journal of Inorganic Biochemistry
|
April 23, 2013
Metal complex-DNA binding: Insights from molecular dynamics and DFT/MM calculations
Angelo Spinello, Alessio Terenzi, Giampaolo Barone
The Journal of Physical Chemistry Letters
|
December 1, 2021
Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations
Jure Borišek, Angelo Spinello, Alessandra Magistrato
The Journal of Physical Chemistry Letters
|
May 29, 2020
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations
Angelo Spinello, Andrea Saltalamacchia, Alessandra Magistrato
Proteins
|
June 15, 2023
The avidin-theophylline complex: A structural and computational study
Angelo Spinello, Fabio Lapenta, Matteo De March
Journal of Chemical Information and Modeling
|
April 30, 2019
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, et al.
Expert Opinion on Drug Discovery
|
April 20, 2021
Frontiers of metal-coordinating drug design
Giulia Palermo, Angelo Spinello, Aakash Saha, et al.
Page
of 6
Search research articles
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Showing results (1-10 of 55) with videos related to
Sort By:
Page
of 6
Expert Opinion on Drug Discovery
|
June 13, 2017
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era
Angelo Spinello, Alessandra Magistrato
Journal of Chemical Theory and Computation
|
November 21, 2015
The Right Answer for the Right Electrostatics: Force Field Methods Are Able to Describe Relative Energies of DNA Guanine Quadruplexes
Jörg Grunenberg, Giampaolo Barone, Angelo Spinello
Current Opinion in Chemical Biology
|
August 12, 2020
All-atom simulations to studying metallodrugs/target interactions
Pavel Janoš, Angelo Spinello, Alessandra Magistrato
Expert Opinion on Drug Discovery
|
July 25, 2019
Recent advances in computational design of potent aromatase inhibitors: open-eye on endocrine-resistant breast cancers
Angelo Spinello, Ida Ritacco, Alessandra Magistrato
Journal of Inorganic Biochemistry
|
April 23, 2013
Metal complex-DNA binding: Insights from molecular dynamics and DFT/MM calculations
Angelo Spinello, Alessio Terenzi, Giampaolo Barone
The Journal of Physical Chemistry Letters
|
December 1, 2021
Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations
Jure Borišek, Angelo Spinello, Alessandra Magistrato
The Journal of Physical Chemistry Letters
|
May 29, 2020
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations
Angelo Spinello, Andrea Saltalamacchia, Alessandra Magistrato
Proteins
|
June 15, 2023
The avidin-theophylline complex: A structural and computational study
Angelo Spinello, Fabio Lapenta, Matteo De March
Journal of Chemical Information and Modeling
|
April 30, 2019
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, et al.
Expert Opinion on Drug Discovery
|
April 20, 2021
Frontiers of metal-coordinating drug design
Giulia Palermo, Angelo Spinello, Aakash Saha, et al.
Page
of 6