Francesco L. Gervasio

Orcid: 0000-0003-4831-5039

According to our database1, Francesco L. Gervasio authored at least 12 papers between 2007 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors.
J. Chem. Inf. Model., January, 2024

Determinants of Neutral Antagonism and Inverse Agonism in the β<sub>2</sub>-Adrenergic Receptor.
J. Chem. Inf. Model., 2024

2023
Activation/Deactivation Free-Energy Profiles for the β<sub>2</sub>-Adrenergic Receptor: Ligand Modes of Action.
J. Chem. Inf. Model., October, 2023

General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor.
J. Chem. Inf. Model., May, 2023

2022
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses.
J. Chem. Inf. Model., 2022

2019
BioSimSpace: An interoperable Python framework for biomolecular simulation.
J. Open Source Softw., 2019

Understanding Ligand Binding Selectivity in a Prototypical GPCR Family.
J. Chem. Inf. Model., 2019

2017
An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.
J. Chem. Inf. Model., 2017

2015
Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics.
PLoS Comput. Biol., 2015

2014
The SH2 Domain Regulates c-Abl Kinase Activation by a Cyclin-Like Mechanism and Remodulation of the Hinge Motion.
PLoS Comput. Biol., 2014

2011
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 2011

2007
Charge transfer mechanism in a PolydGpdCp fiber and in wet DNA.
Comput. Phys. Commun., 2007


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