Sheenam Khuttan

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 7

Top Topics

Molecular Dynamics Simulations

Endoplasmic Reticulum

Clinical Evaluation

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Sheenam Khuttan, Emilio Gallicchio
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling. Journal of chemical theory and computation 20 (3) (2024)
Sheenam Khuttan, Emilio Gallicchio
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling. Journal of chemical theory and computation (2024)
Sheenam Khuttan, Emilio Gallicchio
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling. Journal of chemical theory and computation 20 (3) (2024)
Sheenam Khuttan, Emilio Gallicchio
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling. Journal of chemical theory and computation 20 (3) (2024)
Solmaz Azimi, Sheenam Khuttan, Joe Z Wu, Rajat Kumar Pal, Emilio Gallicchio
Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method. Journal of chemical information and modeling 62 (2) (2022)
Sheenam Khuttan, Solmaz Azimi, Joe Z Wu, Emilio Gallicchio
Alchemical transformations for concerted hydration free energy estimation with explicit solvation. The Journal of chemical physics 154 (5) (2021)
Joe Z Wu, Solmaz Azimi, Sheenam Khuttan, Nanjie Deng, Emilio Gallicchio
Alchemical Transfer Approach to Absolute Binding Free Energy Estimation. Journal of chemical theory and computation 17 (6) (2021)