Fig. 10
From: Ensemble completeness in conformer sampling: the case of small macrocycles
Histograms for the frequencies of 3D polar surface areas in Ă…2 of the conformers derived from five MD simulations at 300Â K with five different starting coordinates for compounds 1 (top row) and 7 (bottom row); a solvent water, neutral, b water, positively charged, c CHCl3, neutral