Cargando…

Induced Polarization in Molecular Dynamics Simulations of the 5-HT(3) Receptor Channel

[Image: see text] Ion channel proteins form water-filled nanoscale pores within lipid bilayers, and their properties are dependent on the complex behavior of water in a nanoconfined environment. Using a simplified model of the pore of the 5-HT(3) receptor (5HT3R) which restrains the backbone structu...

Descripción completa

Detalles Bibliográficos
Autores principales:	Klesse, Gianni, Rao, Shanlin, Tucker, Stephen J., Sansom, Mark S.P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7243253/ https://www.ncbi.nlm.nih.gov/pubmed/32336093 http://dx.doi.org/10.1021/jacs.0c02394

Ejemplares similares

A BEST example of channel structure annotation by molecular simulation
por: Rao, Shanlin, et al.
Publicado: (2017)

CHAP: A Versatile Tool for the Structural and Functional Annotation of Ion Channel Pores
por: Klesse, Gianni, et al.
Publicado: (2019)

Molecular Simulations of Hydrophobic Gating of Pentameric Ligand Gated Ion Channels: Insights into Water and Ions
por: Rao, Shanlin, et al.
Publicado: (2021)

Electric Field Induced Wetting of a Hydrophobic Gate in a Model Nanopore Based on the 5-HT(3) Receptor Channel
por: Klesse, Gianni, et al.
Publicado: (2020)

Water Nanoconfined in a Hydrophobic Pore: Molecular Dynamics Simulations of Transmembrane Protein 175 and the Influence of Water Models
por: Lynch, Charlotte I., et al.
Publicado: (2021)

Functional Annotation of Ion Channel Structures by Molecular Simulation
por: Trick, Jemma L., et al.
Publicado: (2016)

A heuristic derived from analysis of the ion channel structural proteome permits the rapid identification of hydrophobic gates
por: Rao, Shanlin, et al.
Publicado: (2019)

Water and hydrophobic gates in ion channels and nanopores
por: Rao, Shanlin, et al.
Publicado: (2018)

Cryo-EM reveals two distinct serotonin-bound conformations of full-length 5-HT(3A) receptor
por: Basak, Sandip, et al.
Publicado: (2018)

Water in Nanopores and Biological Channels: A Molecular Simulation Perspective
por: Lynch, Charlotte I., et al.
Publicado: (2020)

Capsaicin Interaction with TRPV1 Channels in a Lipid Bilayer: Molecular Dynamics Simulation
por: Hanson, Sonya M., et al.
Publicado: (2015)

Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale
por: Chavent, Matthieu, et al.
Publicado: (2016)

Interactions of Lipids and Detergents with a Viral Ion Channel Protein: Molecular Dynamics Simulation Studies
por: Rouse, Sarah L., et al.
Publicado: (2014)

How Does a Voltage Sensor Interact with a Lipid Bilayer? Simulations of a Potassium Channel Domain
por: Sands, Zara A., et al.
Publicado: (2007)

Interactions of the EGFR juxtamembrane domain with PIP(2)-containing lipid bilayers: Insights from multiscale molecular dynamics simulations()
por: Abd Halim, Khairul Bariyyah, et al.
Publicado: (2015)

Influence of effective polarization on ion and water interactions within a biomimetic nanopore
por: Phan, Linda X., et al.
Publicado: (2022)

Influence of lipids on the hydrophobic barrier within the pore of the TWIK-1 K2P channel
por: Aryal, Prafulla, et al.
Publicado: (2014)

The energetics of protein–lipid interactions as viewed by molecular simulations
por: Corey, Robin A., et al.
Publicado: (2020)

Molecular simulations of glycolipids: Towards mammalian cell membrane models
por: Shorthouse, David, et al.
Publicado: (2016)

The Integrin Receptor in Biologically Relevant Bilayers: Insights from Molecular Dynamics Simulations
por: Kalli, Antreas C., et al.
Publicado: (2016)

A single channel mutation alters agonist efficacy at 5-HT(3)A and 5-HT(3)AB receptors
por: Thompson, A J, et al.
Publicado: (2013)

The Glycosphingolipid GM3 Modulates Conformational Dynamics of the Glucagon Receptor
por: Ansell, T. Bertie, et al.
Publicado: (2020)

Dynamic role of the tether helix in PIP(2)-dependent gating of a G protein–gated potassium channel
por: Lacin, Emre, et al.
Publicado: (2017)

H Bonding at the Helix-Bundle Crossing Controls Gating in Kir Potassium Channels
por: Rapedius, Markus, et al.
Publicado: (2007)

The role of 5-HT receptors in depression
por: Yohn, Christine N., et al.
Publicado: (2017)

Distribution of 5-HT(3), 5-HT(4), and 5-HT(7) Receptors Along the Human Colon
por: Yaakob, Nor S, et al.
Publicado: (2015)

5-HT(3) Receptors
por: Lummis, Sarah C. R.
Publicado: (2012)

State-Dependent Network Connectivity Determines Gating in a K(+) Channel
por: Bollepalli, Murali K., et al.
Publicado: (2014)

Cardiac Roles of Serotonin (5-HT) and 5-HT-Receptors in Health and Disease
por: Neumann, Joachim, et al.
Publicado: (2023)

Pathways and Barriers for Ion Translocation through the 5-HT(3)A Receptor Channel
por: Di Maio, Danilo, et al.
Publicado: (2015)

Binding of Ca(2+)-independent C2 domains to lipid membranes: A multi-scale molecular dynamics study
por: Larsen, Andreas Haahr, et al.
Publicado: (2021)

Review: 5-HT(1), 5-HT(2), 5-HT(3) and 5-HT(7) Receptors and their Role in the Modulation of Pain Response in the Central Nervous System
por: Cortes-Altamirano, Jose Luis, et al.
Publicado: (2018)

Characterizing Membrane Association and Periplasmic Transfer of Bacterial Lipoproteins through Molecular Dynamics Simulations
por: Rao, Shanlin, et al.
Publicado: (2020)

Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis
por: Amin, Faiq, et al.
Publicado: (2022)

Human 5–HT(4) and 5–HT(7) Receptor Splice Variants: Are they Important?
por: Coupar, Ian M, et al.
Publicado: (2007)

Discriminating between 5-HT(3)A and 5-HT(3)AB receptors
por: Thompson, AJ, et al.
Publicado: (2013)

All-Atom Molecular Dynamics Simulations Indicated the Involvement of a Conserved Polar Signaling Channel in the Activation Mechanism of the Type I Cannabinoid Receptor
por: Sarkar, Arijit, et al.
Publicado: (2023)

Insights into the structural nature of the transition state in the Kir channel gating pathway
por: Fowler, Philip W, et al.
Publicado: (2014)

Phylogenetic analyses of 5-hydroxytryptamine 3 (5-HT(3)) receptors in Metazoa
por: Rao, Santosh T. R. B., et al.
Publicado: (2023)

Molecular and Pharmacological Characterization of Serotonin 5-HT(2α) and 5-HT(7) Receptors in the Salivary Glands of the Blowfly Calliphora vicina
por: Röser, Claudia, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_g6ilq3nvvldttqs8u5f550thd7