Sheenam Khuttan

4PUBLICATIONS
16CO-AUTHORS
Proteins and peptidesPopulation ecologyChemical and thermal processes in energy and combustionChemical thermodynamics and energetics
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Publications (4)

|Oct 01, 2026
Discovery of Selective Small-Molecule Ligands of SV2C by AI-Enhanced Virtual Screening and Experimental Validation.

|Jan 22, 2024
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling.

Sheenam Khuttan, Emilio Gallicchio

|Jan 06, 2022
Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method.

Solmaz Azimi, Sheenam Khuttan, Joe Z Wu

|May 13, 2021
Alchemical Transfer Approach to Absolute Binding Free Energy Estimation.

Joe Z Wu, Solmaz Azimi, Sheenam Khuttan

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Frequent Collaborators

3 joint publications

Emilio Gallicchio

2 joint publications

Joe Z Wu

2 joint publications

Solmaz Azimi

1 joint publications

Nanjie Deng