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Residual structures and transient long-range interactions of p53 transactivation domain: Assessment of explicit solvent protein force fields

Molecular dynamics simulations using physics-based atomistic force fields have been increasingly used to characterize the heterogeneous structural ensembles of intrinsically disordered proteins (IDPs). To evaluate the accuracy of latest atomistic explicit-solvent force fields in modelling larger IDP...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:J Chem Theory Comput
Main Authors: Liu, Xiaorong, Chen, Jianhan
Format: Artigo
Jezik:Inglês
Izdano: 2019
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6692222/
https://ncbi.nlm.nih.gov/pubmed/31241933
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00397
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