Table 1 The confinement effect in ion liquid (IL) solution.

From: Weighted persistent homology for biomolecular data analysis

 

IL1

IL2

IL3

Wat1

Wat2

Wat3

AC-PCA

212

167

173

307

301

268

HP-PCA

—

217

203

350

352

341

LPH-PCA

340

321

333

345

357

354

LWPH-PCA

—

211

186

354

295

313

  1. The area of distribution of each MD trajectory repeat. The area is counted as the number of grids with population larger than 5% of the largest population grid. Four different methods are considered, including the atom-coordinate-based PCA (AC-PCA), the helical-parameter-based PCA (HP-PCA), the LPH-based PCA (LPH-PCA), and LWPH-based PCA (LWPH-PCA). We have not listed the area for IL1 from HP-PCA and LWPH-PCA, as dynamic transition is observed in these representations and the area cannot be treated as the measurement of degree of conformational fluctuation.
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