Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2019 May 3;33(6):531–558. doi: 10.1007/s10822-019-00203-1

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2019

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.

PMC Copyright notice

Fig. 2 — New physical movements include flips of stretches of macrocycle sub-rings and coordinated formation of multiple hydrogen bonds (top); best matching conformer from ForceGen thorough search (bottom, shown in cyan)