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Polarizable force fields for biomolecular simulations: Recent advances and applications

Realistic modeling of biomolecular systems requires an accurate treatment of electrostatics, including electronic polarization. Due to recent advances in physical models, simulation algorithms and computing hardware, biomolecular simulations with advanced force fields at biologically relevant time s...

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Podrobná bibliografie
Vydáno v:Annu Rev Biophys
Hlavní autoři: Jing, Zhifeng, Liu, Chengwen, Cheng, Sara Y., Qi, Rui, Walker, Brandon D., Piquemal, Jean-Philip, Ren, Pengyu
Médium: Artigo
Jazyk:Inglês
Vydáno: 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6520134/
https://ncbi.nlm.nih.gov/pubmed/30916997
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1146/annurev-biophys-070317-033349
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