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Apoorva Purohit

4PUBLICATIONS

6CO-AUTHORS

Computational chemistryProteomics and metabolomicsAutonomic nervous systemProteins and peptides

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Publications (4)

Sort by Publication Date:

|Mar 28, 2026

Free energy calculations in molecular modeling: from classical methods to machine learning.

Apoorva Purohit

|Oct 13, 2025

Benchmarking Alchemical Relative Binding Free Energy Calculations for Nucleotide Binding to Multimeric ATPases.

Apoorva Purohit, Xiaolin Cheng

|May 14, 2025

Structural basis of human Na<sub>v</sub>1.5 gating mechanisms.

Rupam Biswas, Ana Laura López-Serrano, Apoorva Purohit

|Dec 19, 2024

Absolute and Relative Binding Free Energy Calculations of Nucleotides to Multiple Protein Classes.

Apoorva Purohit, Xiaolin Cheng

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Frequent Collaborators

3 joint publications

Xiaolin Cheng

1 joint publications

Rupam Biswas

1 joint publications

Ana Laura López-Serrano

1 joint publications

Sarah M Heissler

1 joint publications

Isabelle Deschênes

1 joint publications

Krishna Chinthalapudi

Frequent Collaborators

3 joint publications

Xiaolin Cheng

1 joint publications

Rupam Biswas

1 joint publications

Ana Laura López-Serrano

1 joint publications

Sarah M Heissler

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