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Giovanni Bolcato

Showing results (1-10 of 20) with videos related to

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Journal of Chemical Information and Modeling|March 10, 2022
On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative MethodsGiovanni Bolcato, Esther Heid, Jonas Boström
Molecules (Basel, Switzerland)|October 15, 2020
Comparing Fragment Binding Poses Prediction Using HSP90 as a Key Study: When Bound Water Makes the DifferenceGiovanni Bolcato, Maicol Bissaro, Mattia Sturlese, et al.
Biomolecules|May 13, 2020
New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics SimulationsGiovanni 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 DynamicsMahdi 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 DatabaseGiovanni Bolcato, Alberto Cuzzolin, Maicol Bissaro, et al.
Biomedicines|February 25, 2022
Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism?Giovanni Bolcato, Matteo Pavan, Davide Bassani, 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 nelfinavirGiovanni Bolcato, Maicol Bissaro, Matteo Pavan, et al.
Journal of Enzyme Inhibition and Medicinal Chemistry|July 22, 2021
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332Matteo Pavan, Giovanni Bolcato, Davide Bassani, 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) SimulationsMaicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, et al.
Pharmaceuticals (Basel, Switzerland)|February 26, 2022
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease M<sup>pro</sup>Davide Bassani, Matteo Pavan, Giovanni Bolcato, et al.
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Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
Journal of Chemical Information and Modeling|March 10, 2022
On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative MethodsGiovanni Bolcato, Esther Heid, Jonas Boström
Molecules (Basel, Switzerland)|October 15, 2020
Comparing Fragment Binding Poses Prediction Using HSP90 as a Key Study: When Bound Water Makes the DifferenceGiovanni Bolcato, Maicol Bissaro, Mattia Sturlese, et al.
Biomolecules|May 13, 2020
New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics SimulationsGiovanni 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 DynamicsMahdi 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 DatabaseGiovanni Bolcato, Alberto Cuzzolin, Maicol Bissaro, et al.
Biomedicines|February 25, 2022
Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism?Giovanni Bolcato, Matteo Pavan, Davide Bassani, 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 nelfinavirGiovanni Bolcato, Maicol Bissaro, Matteo Pavan, et al.
Journal of Enzyme Inhibition and Medicinal Chemistry|July 22, 2021
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332Matteo Pavan, Giovanni Bolcato, Davide Bassani, 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) SimulationsMaicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, et al.
Pharmaceuticals (Basel, Switzerland)|February 26, 2022
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease M<sup>pro</sup>Davide Bassani, Matteo Pavan, Giovanni Bolcato, et al.
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