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Article

Time-averaged distributions of solute and solvent motions: exploring proton wires of GFP and PfM2DH.

Journal of chemical information and modeling - 22 Dec 2014

Velez-Vega Camilo, McKay Daniel J J, Aravamuthan Vibhas, Pearlstein Robert, Duca José S

Abstract excerpt

Proton translocation pathways of selected variants of the green fluorescent protein (GFP) and Pseudomonas fluorescens mannitol 2-dehydrogenase (PfM2DH) were investigated via an explicit solvent molecular dynamics-based analysis protocol that allows for direct quantitative relationship between a crystal structure and its time-averaged solute-solvent structure obtained from simulation. Our study of GFP is in good...

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PMID: 25405925
DOI: 10.1021/ci500571h

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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