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Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins

Cation-π interactions are noncovalent interactions between a π-electron system and a positively charged ion that are regarded as a strong noncovalent interaction and are ubiquitous in biological systems. Similarly, though less studied, anion-π interactions are present in proteins along with in-plane...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:J Comput Chem
Main Authors: Lin, Fang-Yu, MacKerell, Alexander D.
Format: Artigo
Jezik:Inglês
Izdano: 2019
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC7322827/
https://ncbi.nlm.nih.gov/pubmed/31518010
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.26067
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