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Neural Regeneration Research
|
August 10, 2019
Rethinking to riluzole mechanism of action: the molecular link among protein kinase CK1δ activity, TDP-43 phosphorylation, and amyotrophic lateral sclerosis pharmacological treatment
Maicol Bissaro, Stefano Moro
Drug Discovery Today
|
June 28, 2020
The rise of molecular simulations in fragment-based drug design (FBDD): an overview
Maicol Bissaro, Mattia Sturlese, Stefano Moro
Frontiers in Chemistry
|
March 17, 2020
Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules?
Maicol Bissaro, Mattia Sturlese, Stefano Moro
Molecules (Basel, Switzerland)
|
October 15, 2020
Comparing Fragment Binding Poses Prediction Using HSP90 as a Key Study: When Bound Water Makes the Difference
Giovanni Bolcato, Maicol Bissaro, Mattia Sturlese, et al.
Journal of Chemical Information and Modeling
|
September 25, 2025
Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies
Anna M Herz, Maicol Bissaro, Carmen Esposito, et al.
Scientific Reports
|
December 2, 2020
Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir
Giovanni Bolcato, Maicol Bissaro, Matteo Pavan, et al.
Molecules (Basel, Switzerland)
|
August 1, 2019
Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A<sub>2A</sub> Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations
Maicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, et al.
Biomolecules
|
May 13, 2020
New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics Simulations
Giovanni Bolcato, Maicol Bissaro, Giuseppe Deganutti, et al.
Frontiers in Molecular Biosciences
|
September 17, 2021
Shedding Light on the Molecular Recognition of Sub-Kilodalton Macrocyclic Peptides on Thrombin by Supervised Molecular Dynamics
Mahdi Hassankalhori, Giovanni Bolcato, Maicol Bissaro, et al.
International Journal of Molecular Sciences
|
July 24, 2019
Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database
Giovanni Bolcato, Alberto Cuzzolin, Maicol Bissaro, et al.
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Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Neural Regeneration Research
|
August 10, 2019
Rethinking to riluzole mechanism of action: the molecular link among protein kinase CK1δ activity, TDP-43 phosphorylation, and amyotrophic lateral sclerosis pharmacological treatment
Maicol Bissaro, Stefano Moro
Drug Discovery Today
|
June 28, 2020
The rise of molecular simulations in fragment-based drug design (FBDD): an overview
Maicol Bissaro, Mattia Sturlese, Stefano Moro
Frontiers in Chemistry
|
March 17, 2020
Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules?
Maicol Bissaro, Mattia Sturlese, Stefano Moro
Molecules (Basel, Switzerland)
|
October 15, 2020
Comparing Fragment Binding Poses Prediction Using HSP90 as a Key Study: When Bound Water Makes the Difference
Giovanni Bolcato, Maicol Bissaro, Mattia Sturlese, et al.
Journal of Chemical Information and Modeling
|
September 25, 2025
Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies
Anna M Herz, Maicol Bissaro, Carmen Esposito, et al.
Scientific Reports
|
December 2, 2020
Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir
Giovanni Bolcato, Maicol Bissaro, Matteo Pavan, et al.
Molecules (Basel, Switzerland)
|
August 1, 2019
Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A<sub>2A</sub> Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations
Maicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, et al.
Biomolecules
|
May 13, 2020
New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics Simulations
Giovanni Bolcato, Maicol Bissaro, Giuseppe Deganutti, et al.
Frontiers in Molecular Biosciences
|
September 17, 2021
Shedding Light on the Molecular Recognition of Sub-Kilodalton Macrocyclic Peptides on Thrombin by Supervised Molecular Dynamics
Mahdi Hassankalhori, Giovanni Bolcato, Maicol Bissaro, et al.
International Journal of Molecular Sciences
|
July 24, 2019
Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database
Giovanni Bolcato, Alberto Cuzzolin, Maicol Bissaro, et al.
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of 3