Some Other Simple and Precise Quantitative equations in Protein Structure Prediction

In studies conducted on three-dimensional coordinate data of proteins downloaded from the world-renowned Protein Data Bank (PDB), it was discovered that the force balance problem of the main chain of many proteins can be divided into two parts. The first part is the backbone portion, which is the subject of the author's previous proposal: assuming a unidirectional tensile force along the protein main chain from one end to the other, the sum of the projections of the tensile forces between two adjacent central atoms along the ,and -axes equals zero, thus satisfying the force balance conditions. The second part is the non-backbone portion. When forces are directed from the central atoms of the protein main chain to their associated non-central atoms, if all forces are assumed equal, the sum of their projections along the,and -axes also equals zero, indicating a state of force balance. Although the force balance of the protein side-chain backbone portion is still under investigation, other part other than the side-chain backbone portion also show good agreement with the force balance conditions. These simple and precise quantitative relationships can greatly facilitate research on protein structures. However, it should be noted that not all proteins satisfy these precise relationships. We believe that deviations from the force balance conditions are related to factors such as the binding of small organic molecules to proteins, which will be further explored in subsequent work.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-08-28
DOI
https://doi.org/10.5281/zenodo.22141789
Primary Topic
Protein Structure and Dynamics
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article
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article

Some Other Simple and Precise Quantitative equations in Protein Structure Prediction

Kequn Li
Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
article

Some Other Simple and Precise Quantitative equations in Protein Structure Prediction

Kequn Li
article en

Abstract

In studies conducted on three-dimensional coordinate data of proteins downloaded from the world-renowned Protein Data Bank (PDB), it was discovered that the force balance problem of the main chain of many proteins can be divided into two parts. The first part is the backbone portion, which is the subject of the author's previous proposal: assuming a unidirectional tensile force along the protein main chain from one end to the other, the sum of the projections of the tensile forces between two adjacent central atoms along the ,and -axes equals zero, thus satisfying the force balance conditions. The second part is the non-backbone portion. When forces are directed from the central atoms of the protein main chain to their associated non-central atoms, if all forces are assumed equal, the sum of their projections along the,and -axes also equals zero, indicating a state of force balance. Although the force balance of the protein side-chain backbone portion is still under investigation, other part other than the side-chain backbone portion also show good agreement with the force balance conditions. These simple and precise quantitative relationships can greatly facilitate research on protein structures. However, it should be noted that not all proteins satisfy these precise relationships. We believe that deviations from the force balance conditions are related to factors such as the binding of small organic molecules to proteins, which will be further explored in subsequent work.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 17%
Protein Structure and Dynamics
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