Fig. 5 | Scientific Data

Fig. 5

From: AIMD-Chig: Exploring the conformational space of a 166-atom protein Chignolin with ab initio molecular dynamics

Fig. 5The alternative text for this image may have been generated using AI.

Evaluation of the choices of different numbers of anchors on the free energy landscape of Chignolin. From (a–f), the numbers of anchors increase from 200 to 10,000. Purple points indicate the position of the anchor structure on the free energy landscape. The unit of the relative energy is kcal/mol.

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