What question did this study set out to answer?

This research aims to estimate the absolute binding free energy of protein-DNA complexes using a streamlined geometric approach.

April 12, 2026Open Access

Estimation of Absolute Protein–DNA Binding Free Energy using Streamlined Geometric Formalism

Key Points

This research aims to estimate the absolute binding free energy of protein-DNA complexes using a streamlined geometric approach.
Developed a geometric formalism for binding energy calculation
Utilized computational techniques for protein-DNA interaction analysis
Provided supplementary files for energy estimation processes
Demonstrated a new method for calculating binding free energy
Facilitated easier computations for protein-DNA interactions using geometric formalism

Abstract

Supplementary information for manuscript "Estimation of Absolute Protein–DNA Binding Free Energy using Streamlined Geometric Formalism" by Shreya Mukherjee, Diship Srivastava, and Niladri Patra, Department of Chemistry and Chemical Biology, Indian Institute of Technology (ISM) Dhanbad, Dhanbad - 826004, India email : npatra2@iitism.ac.in Zipped file contains files for computing absolute binding free enrgy of Protein-DNA complex using streamlined geometric formalism. Preprint of the manuscript can found here: https://doi.org/10.64898/2026.02.24.707754

Estimation of Absolute Protein–DNA Binding Free Energy using Streamlined Geometric Formalism

Key Points

Abstract

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