Matches in SemOpenAlex for { <https://semopenalex.org/work/W2800697076> ?p ?o ?g. }
- W2800697076 abstract "Significance Many proteins that perform important biological functions are completely or partially disordered under physiological conditions. Molecular dynamics simulations could be a powerful tool for the structural characterization of such proteins, but it has been unclear whether the physical models (force fields) used in simulations are sufficiently accurate. Here, we systematically compare the accuracy of a number of different force fields in simulations of both ordered and disordered proteins, finding that each force field has strengths and limitations. We then describe a force field that substantially improves on the state-of-the-art accuracy for simulations of disordered proteins without sacrificing accuracy for folded proteins, thus broadening the range of biological systems amenable to molecular dynamics simulations." @default.
- W2800697076 created "2018-05-17" @default.
- W2800697076 creator A5059988639 @default.
- W2800697076 creator A5074305095 @default.
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- W2800697076 date "2018-05-07" @default.
- W2800697076 modified "2023-10-16" @default.
- W2800697076 title "Developing a molecular dynamics force field for both folded and disordered protein states" @default.
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- W2800697076 doi "https://doi.org/10.1073/pnas.1800690115" @default.
- W2800697076 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6003505" @default.
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