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Fragment-based error estimation in biomolecular modeling

Computer simulations are becoming an increasingly more important component of drug discovery. Computational models are now often able to reproduce and sometimes even predict outcomes of experiments. Still, potential energy models such as force fields contain significant amounts of bias and imprecisi...

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Bibliografske podrobnosti
Main Authors: Faver, John C., Merz, Kenneth M.
Format: Artigo
Jezik:Inglês
Izdano: 2013
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC3947206/
https://ncbi.nlm.nih.gov/pubmed/23993915
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.drudis.2013.08.016
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