AI Article Synopsis
- We used advanced atomistic modeling to investigate how ions interact with proteins and biomolecules.
- Our findings indicate that small, hard ions attach directly to charged areas on the surface, while larger, softer ions connect to nonpolar regions through attraction helped by the surrounding solvent.
- These insights align with existing bulk solution data and could enhance our understanding of how specific ions affect biological systems.
Article Abstract
Employing detailed atomistic modeling we study the mechanisms behind ion binding to proteins and other biomolecules and conclude that (1) small, hard ions bind via direct ion pairing to charged surface groups and (2) large, soft ions bind to nonpolar groups via a solvent assisted attraction. Our predictions are in qualitative agreement with bulk solution data and may provide an important clue for the basic understanding of ion-specific effects in biological systems.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/ja803274p | DOI Listing |
Publication Analysis
Top Keywords
ion binding
8
ions bind
8
specific ion
4
binding nonpolar
4
nonpolar surface
4
surface patches
4
patches proteins
4
proteins employing
4
employing detailed
4
detailed atomistic
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!