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Long Dynamics Simulations of Proteins Using Atomistic Force Fields and a Continuum Representation of Solvent Effects: Calculation of Structural and Dynamic Properties

Long dynamics simulations were carried out on the B1 immunoglobulin-binding domain of streptococcal protein G (ProtG) and bovine pancreatic trypsin inhibitor (BPTI) using atomistic descriptions of the proteins and a continuum representation of solvent effects. To mimic frictional and random collisio...

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Bibliografiska uppgifter
Huvudupphovsmän: Li, Xianfeng, Hassan, Sergio A., Mehler, Ernest L.
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2005
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC1764639/
https://ncbi.nlm.nih.gov/pubmed/15959866
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.20470
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