2026-10-12T07:50:21Z
https://api.figshare.com/v2/oai
oai:figshare.com:article/33940312
2026-09-18T18:01:33Z
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<p>Per-replicate window statistics for the 6E7B MD simulations.</p>
Jixin Yang (345976)
Lisha Liang (16839548)
Dengchao Zhu (25073614)
Xuzhe Yin (25073617)
Yizhuo Feng (25073620)
Shaojun Tang (2546617)
Muzi Li (698159)
Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Cell Biology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer
Cardiology
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cppf could suppress
disrupt microtubule growth
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novel microtubule
resistant cancers
binding assays
anticancer potential
straight microtubule
tubulin residues
tubulin exhibited
tubulin conformations
cppf binding
validated targets
two major
tumor efficacy
taken together
structural hypothesis
results showed
preserved across
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monomer comparisons
molecular dynamics
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fundamental mechanism
findings establish
experimental validation
energy minima
dominant contributions
demonstrate anti
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animal models
<p>Per-replicate summary of key MD-derived metrics computed over the final 50 ns analysis window (150–200 ns) of the three 6E7B simulations. Metrics reported for each replicate include backbone RMSD, minimum CPPF–protein distance (mindist_pl), hydrogen bond count (hbond_num), radius of gyration (Rg), and solvent-accessible surface area (SASA). Values represent mean SD across frames within the analysis window. All distances are in nm and SASA in nm<sup>2</sup>.</p> <p>(CSV)</p>
2026-09-18T18:00:35Z
Dataset
Dataset
10.1371/journal.pcbi.1014804.s015
https://figshare.com/articles/dataset/_p_Per-replicate_window_statistics_for_the_6E7B_MD_simulations_p_/33940312
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