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Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases

[Image: see text] Aromatic molecules with π electrons are commonly involved in chemical and biological recognitions. For example, nucleobases play central roles in DNA/RNA structure and their interactions with proteins. The delocalization of the π electrons is responsible for the high polarizability...

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Bibliographic Details
Published in:J Chem Theory Comput
Main Authors: Zhang, Changsheng, Bell, David, Harger, Matthew, Ren, Pengyu
Format: Artigo
Language:Inglês
Published: American Chemical Society 2016
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5312700/
https://ncbi.nlm.nih.gov/pubmed/28030769
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00918
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