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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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| 出版年: | J Chem Inf Model |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2021
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| 主題: | |
| オンライン･アクセス: | 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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