Jacqueline C. Calderón

According to our database, Jacqueline C. Calderón authored at least 4 papers between 2023 and 2024.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2024

Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors.

Jacqueline C. Calderón, Eva Plut, Max Keller, Chiara Cabrele, Oliver Reiser, Francesco L. Gervasio, Timothy Clark

J. Chem. Inf. Model., January, 2024

Determinants of Neutral Antagonism and Inverse Agonism in the β₂-Adrenergic Receptor.

Jacqueline C. Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark

J. Chem. Inf. Model., 2024

2023

Activation/Deactivation Free-Energy Profiles for the β₂-Adrenergic Receptor: Ligand Modes of Action.

Jacqueline C. Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark

J. Chem. Inf. Model., October, 2023

General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor.

Jacqueline C. Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark

J. Chem. Inf. Model., May, 2023