Emilio Gallicchio

23PUBLICATIONS
34CO-AUTHORS
Chemical thermodynamics and energeticsCharacterisation of biological macromoleculesBiomolecular modelling and designElectrochemical energy storage and conversionBioinformatic methods development
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Publications (23)

|Feb 10, 2026
Toward Reconciling the Standard Binding Free Energy of Lenacapavir to HIV-1 Capsid with Experiment: Thermodynamic Effects of Solvent Buffer and Ligand Reorganization.

Qinfang Sun, Emilio Gallicchio, Ronald Levy

|May 27, 2025
Deconstruction of Desacetamidocolchicine's B Ring Reveals a Class 3 Atropisomeric AC Ring with Tubulin Binding Properties.

Lauren P Bejcek, Orugbani S Eli, Diana M Kapkayeva

|Mar 26, 2025
Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer Method with Coordinate Swapping.

Emilio Gallicchio

|Feb 04, 2025
Potential distribution theory of alchemical transfer.

Solmaz Azimi, Emilio Gallicchio

|Oct 29, 2024
Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations.

Solmaz Azimi, Emilio Gallicchio

|Feb 20, 2024
Enhancing Protein-Ligand Binding Affinity Predictions Using Neural Network Potentials.

Francesc Sabanés Zariquiey, Raimondas Galvelis, Emilio Gallicchio

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Frequent Collaborators

4 joint publications

Solmaz Azimi

3 joint publications

Sheenam Khuttan

3 joint publications

Gianni De Fabritiis

3 joint publications

Nanjie Deng