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Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations

[Image: see text] In this molecular dynamics simulation study, we analyze intermolecular vibrations in the hydration shell of a solvated enyzme, the membrane type 1–matrix metalloproteinase, with high spatial resolution. Our approach allows us to characterize vibrational signatures of the local hydr...

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Pubblicato in:J Phys Chem B
Autori principali: Pattni, Viren, Vasilevskaya, Tatiana, Thiel, Walter, Heyden, Matthias
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2017
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5607456/
https://ncbi.nlm.nih.gov/pubmed/28636363
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.7b03966
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