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

. 2018 Jan 30;10:3. doi: 10.1186/s13321-018-0257-z

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

© The Author(s) 2018

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. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

PMC Copyright notice

Fig. 7 — Binding mode analysis of the most dissimilar DrugBank compound, DB00631 (Purple), from abacavir (Yellow) identified using XP + P1 screening. a Superimposition of abacavir and DB00631 from XP + P1 screening with P1 shown in red, b XP + P1 binding mode of DB00631, c Superimposition of abacavir and DB00631 from XP + P2 screening with P2 shown in green, d XP + P2 binding mode of DB00631, e Superimposition of abacavir and DB00631 from XP + P3 screening with P3 shown in blue, f XP + P3 binding mode of DB00631