Binding and dynamics of melatonin at the interface of phosphatidylcholine-cholesterol membranes

Computational Modeling of Realistic Cell Membranes

(2019) Siewert J. Marrink et al.   CHEMICAL REVIEWS

Melatonin attenuates TNF-α and IL-1β expression in synovial fibroblasts and diminishes cartilage degradation: implications for the treatment of rheumatoid arthritis

(2019) Chien-Chung Huang et al.   JOURNAL OF PINEAL RESEARCH

Melatonin: A Cutaneous Perspective on its Production, Metabolism, and Functions

(2018) Andrzej T. Slominski et al.   JOURNAL OF INVESTIGATIVE DERMATOLOGY

Determination of the Main Phase Transition Temperature of Phospholipids by Nanoplasmonic Sensing

(2018) Wen Chen et al.   Scientific Reports

Binding free energies of small-molecules in phospholipid membranes: Aminoacids, serotonin and melatonin

(2018) Huixia Lu et al.   CHEMICAL PHYSICS LETTERS

Effects of cholesterol on the binding of the precursor neurotransmitter tryptophan to zwitterionic membranes

(2018) Huixia Lu et al.   JOURNAL OF CHEMICAL PHYSICS

Foliar spraying of melatonin confers cadmium tolerance in Nicotiana tabacum L

(2018) Meng Wang et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications

(2016) Justin A. Lemkul et al.   CHEMICAL REVIEWS

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Pair interactions among ternary DPPC/POPC/cholesterol mixtures in liquid-ordered and liquid-disordered phases

(2016) Jing Yang et al.   Soft Matter

Specific Ion Binding at Phospholipid Membrane Surfaces

(2015) Jing Yang et al.   Journal of Chemical Theory and Computation

Raman and SERS study of N-acetyl-5-methoxytryptamine, melatonin—The influence of the different molecular fragments on the SERS effect

(2015) Guillermo Diaz Fleming et al.   VIBRATIONAL SPECTROSCOPY

Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes

(2014) J. Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of melatonin and cholesterol on the structure of DOPC and DPPC membranes

(2013) E. Drolle et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Melatonin directly interacts with cholesterol and alleviates cholesterol effects in dipalmitoylphosphatidylcholine monolayers

(2013) Youngjik Choi et al.   Soft Matter

Vibrational and electronic spectroscopic studies of melatonin

(2013) Gurpreet Singh et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Therapeutic applications of melatonin

(2013) Ifigenia Kostoglou-Athanassiou   Therapeutic Advances in Endocrinology and Metabolism

Effect of cholesterol on the lateral nanoscale dynamics of fluid membranes

(2012) Clare L. Armstrong et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Fluid phase lipid areas and bilayer thicknesses of commonly used phosphatidylcholines as a function of temperature

(2011) Norbert Kučerka et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

(2011) Narayan Ganesan et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Headgroup Mediated Water Insertion into the DPPC Bilayer: A Molecular Dynamics Study

(2011) Prithvi Raj Pandey et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Update of the Cholesterol Force Field Parameters in CHARMM

(2011) Joseph B. Lim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cholesterol Induces Specific Spatial and Orientational Order in Cholesterol/Phospholipid Membranes

(2010) Hector Martinez-Seara et al.   PLoS One

Melatonin attenuates clock gene Cryptochrome1, which may aggravates mouse anti-type II collagen antibody-induced arthritis

(2010) Jihye Bang et al.   RHEUMATOLOGY INTERNATIONAL

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

Ordering effects of cholesterol and its analogues

(2008) Tomasz Róg et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS