Insilco analysis of interaction between BSA and 4-EPS: S1 Fig relates to energy minimization and RMS gradient normalization for 4-EPS with optimization stem number.

<p>S1 Table relates to ground state configurations of 4-EPS with every atom’s spatial arrangement: bond length and angle. S2 Table relates to dipole moment, optimized energy Value and RMS gradient normalization value for optimized EPS molecule.</p> <p>(DOCX)</p>

Publication Details

Journal
Figshare
Published
2024-10-28
DOI
https://doi.org/10.1371/journal.pone.0309057.s001
Primary Topic
Advanced Physical and Chemical Molecular Interactions
Type
article
Field-Weighted Citation Impact
0.00
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article

Insilco analysis of interaction between BSA and 4-EPS: S1 Fig relates to energy minimization and RMS gradient normalization for 4-EPS with optimization stem number.

Figshare
Advanced Physical and Chemical Molecular Interactions
article

Insilco analysis of interaction between BSA and 4-EPS: S1 Fig relates to energy minimization and RMS gradient normalization for 4-EPS with optimization stem number.

article en

Abstract

<p>S1 Table relates to ground state configurations of 4-EPS with every atom’s spatial arrangement: bond length and angle. S2 Table relates to dipole moment, optimized energy Value and RMS gradient normalization value for optimized EPS molecule.</p> <p>(DOCX)</p>

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Insilco analysis of interaction between BSA and 4-EPS: S1 Fig relates to energy minimization and RMS gradient normalization for 4-EPS with optimization stem number. · Figshare (2024) | TGRS Research Map | TGRS