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Development of a Pantetheine Force Field Library for Molecular Modeling

Pantetheine is ubiquitous in nature in various forms of pantetheine-containing ligands (PCLs), including coenzyme A and phosphopantetheine. Lack of scalable force field libraries for PCLs has hampered the computational studies of biological macromolecules containing PCLs. We describe here the develo...

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Pubblicato in:J Chem Inf Model
Autori principali: Zhao, Shiji, Schaub, Andrew J., Tsai, Shiou-Chuan, Luo, Ray
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2021
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC8266206/
https://ncbi.nlm.nih.gov/pubmed/33534558
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01384
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