A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics

We present a new force field, AMBER ff15ipq-m, for simulations of protein mimetics in applications from therapeutics to biomaterials. This force field is an expansion of the AMBER ff15ipq force field that was developed for canonical proteins and enables the modeling of four classes of artificial bac...

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Publié dans:J Chem Phys
Auteurs principaux: Bogetti, Anthony T., Piston, Hannah E., Leung, Jeremy M. G., Cabalteja, Chino C., Yang, Darian T., DeGrave, Alex J., Debiec, Karl T., Cerutti, David S., Case, David A., Horne, W. Seth, Chong, Lillian T.
Format: Artigo
Langue:Inglês
Publié: AIP Publishing LLC 2020
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ARTICLES
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7419161/
https://ncbi.nlm.nih.gov/pubmed/35287464
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0019054
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