NDLI: Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport

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Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport

Content Provider	Scilit
Author	Howard, Rebecca J. Carnevale, Vincenzo Delemotte, Lucie Hellmich, Ute A. Rothberg, Brad S.
Copyright Year	2018
Description	Journal: Biochimica et Biophysica Acta (BBA) - Biomembranes Ion translocation across biological barriers is a fundamental requirement for life. In many cases, controlling this process-for example with neuroactive drugs-demands an understanding of rapid and reversible structural changes in membrane-embedded proteins, including ion channels and transporters. Classical approaches to electrophysiology and structural biology have provided valuable insights into several such proteins over macroscopic, often discontinuous scales of space and time. Integrating these observations into meaningful mechanistic models now relies increasingly on computational methods, particularly molecular dynamics simulations, while surfacing important challenges in data management and conceptual alignment. Here, we seek to provide contemporary context, concrete examples, and a look to the future for bridging disciplinary gaps in biological ion transport. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain.
Related Links	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6317864/pdf
Ending Page	942
Page Count	16
Starting Page	927
ISSN	00052736
DOI	10.1016/j.bbamem.2017.12.013
Journal	Biochimica et Biophysica Acta (BBA) - Biomembranes
Issue Number	4
Volume Number	1860
Language	English
Publisher	Elsevier BV
Publisher Date	2018-04-01
Access Restriction	Open
Subject Keyword	Journal: Biochimica et Biophysica Acta (BBA) - Biomembranes Mathematical and Computational Biology Electrophysiology Molecular Dynamics Structural Biology
Content Type	Text
Resource Type	Article
Subject	Cell Biology Biochemistry Biophysics

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