Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor

Fabio Lolicato; Hanna Juhola; Agata Zak; Pekka A. Postila; Annina Saukko; Sami Rissanen; Giray Enkavi; Ilpo Vattulainen; Mariusz Kepczynski; Tomasz Rog

doi:10.1021/acschemneuro.9b00656

Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor

Fabio Lolicato, Hanna Juhola, Agata Zak, Pekka A. Postila, Annina Saukko, Sami Rissanen, Giray Enkavi, Ilpo Vattulainen, Mariusz Kepczynski, Tomasz Rog

Research output: Contribution to journal › Article › Scientific › peer-review

Original language	English
Journal	ACS chemical neuroscience
Volume	11
Issue number	13
Pages (from-to)	1914-1924
Number of pages	11
ISSN	1948-7193
DOIs	https://doi.org/10.1021/acschemneuro.9b00656
Publication status	Published - 1 Jul 2020
MoE publication type	A1 Journal article-refereed

Fields of Science

synaptic neurotransmission
ligand entry pathway prediction
lipid membrane
molecular dynamics
random acceleration molecular dynamics
umbrella sampling
PARTICLE MESH EWALD
ATOM FORCE-FIELD
MOLECULAR-DYNAMICS
POTENTIAL FUNCTIONS
MELATONIN
AFFINITY
PATHWAYS
CALCIUM
GROMACS
RELEASE
114 Physical sciences

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10.1021/acschemneuro.9b00656Licence: CC BY

acschemneuro.9b00656Final published version, 4.21 MBLicence: CC BY

Cite this

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title = "Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor",

keywords = "synaptic neurotransmission, ligand entry pathway prediction, lipid membrane, molecular dynamics, random acceleration molecular dynamics, umbrella sampling, PARTICLE MESH EWALD, ATOM FORCE-FIELD, MOLECULAR-DYNAMICS, POTENTIAL FUNCTIONS, MELATONIN, AFFINITY, PATHWAYS, CALCIUM, GROMACS, RELEASE, 114 Physical sciences",

author = "Fabio Lolicato and Hanna Juhola and Agata Zak and Postila, {Pekka A.} and Annina Saukko and Sami Rissanen and Giray Enkavi and Ilpo Vattulainen and Mariusz Kepczynski and Tomasz Rog",

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language = "English",

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AU - Lolicato, Fabio

AU - Juhola, Hanna

AU - Zak, Agata

AU - Postila, Pekka A.

AU - Saukko, Annina

AU - Rissanen, Sami

AU - Enkavi, Giray

AU - Vattulainen, Ilpo

AU - Kepczynski, Mariusz

AU - Rog, Tomasz

PY - 2020/7/1

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KW - synaptic neurotransmission

KW - ligand entry pathway prediction

KW - lipid membrane

KW - molecular dynamics

KW - random acceleration molecular dynamics

KW - umbrella sampling

KW - PARTICLE MESH EWALD

KW - ATOM FORCE-FIELD

KW - MOLECULAR-DYNAMICS

KW - POTENTIAL FUNCTIONS

KW - MELATONIN

KW - AFFINITY

KW - PATHWAYS

KW - CALCIUM

KW - GROMACS

KW - RELEASE

KW - 114 Physical sciences

U2 - 10.1021/acschemneuro.9b00656

DO - 10.1021/acschemneuro.9b00656

M3 - Article

SN - 1948-7193

VL - 11

SP - 1914

EP - 1924

JO - ACS chemical neuroscience

JF - ACS chemical neuroscience

IS - 13

ER -