Molecular dynamics simulation of human serum paraoxonase 1 in DPPC bilayer reveals a critical role of transmembrane helix H1 for HDL association

Human Serum ◽

Critical Role ◽

Transmembrane Helix ◽

Dynamics Simulation ◽

Paraoxonase 1 ◽

Dppc Bilayer ◽

Serum Paraoxonase

Critical role of surficial activity in the sintering process of TiO2 nanoparticles by molecular dynamics simulation

Powder Technology ◽

10.1016/j.powtec.2021.117071 ◽

2021 ◽

pp. 117071

Author(s):

Haozhen Yang ◽

Benyao Sun ◽

Yunfan Zhu ◽

Deqiang Yin ◽

Jianyao Yao

Keyword(s):

Molecular Dynamics ◽

Tio2 Nanoparticles ◽

Critical Role ◽

Dynamics Simulation ◽

Sintering Process

Critical role of the bending stiffness of the monolayer black phosphorus in its mechanical behaviors: Molecular dynamics simulation

Nanotechnology ◽

10.1088/1361-6528/abd5e7 ◽

2020 ◽

Author(s):

Peng Hao ◽

Demin Zhao ◽

Yalin Luan ◽

Jianlin Liu ◽

Qing Wang

Keyword(s):

Molecular Dynamics ◽

Critical Role ◽

Bending Stiffness ◽

Black Phosphorus ◽

Dynamics Simulation ◽

Mechanical Behaviors

ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

Faculty Opinions recommendation of Role of cholesterol and polyunsaturated chains in lipid-protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1025182.297783 ◽

2005 ◽

Author(s):

Tetsuji Okada

Keyword(s):

Molecular Dynamics ◽

Protein Interactions ◽

Dynamics Simulation ◽

Lipid Protein Interactions

Prediction of the Interaction between Magnolia Extract, Herbal Medicines, with Human Serum Albumin Using Molecular Dynamics Simulation

Current Bioinformatics ◽

10.2174/1574893612666170405120551 ◽

2018 ◽

Vol 13 (2) ◽

pp. 207-215

Author(s):

Tayebeh Sharifi ◽

Yousef Ghayeb

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Herbal Medicines ◽

Study on the interaction of ertugliflozin with human serum albumin in vitro by multispectroscopic methods, molecular docking, and molecular dynamics simulation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.04.047 ◽

2019 ◽

Vol 219 ◽

pp. 83-90 ◽

Cited By ~ 14

Author(s):

Wenjing Wang ◽

Na Gan ◽

Qiaomei Sun ◽

Di Wu ◽

Ruixue Gan ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

The role of temperature and solvent microenvironment on the activity of Yarrowia lipolytica Lipase 2: Insights from molecular dynamics simulation

Journal of Molecular Catalysis B Enzymatic ◽

10.1016/j.molcatb.2014.08.013 ◽

2014 ◽

Vol 109 ◽

pp. 101-108 ◽

Cited By ~ 8

Author(s):

Hao Cao ◽

Li Deng ◽

Ming Lei ◽

Fang Wang ◽

Tianwei Tan

Keyword(s):

Molecular Dynamics ◽

Yarrowia Lipolytica ◽

Molecular dynamics simulation of the role of hydrogenated Si clusters for fast rate mesoplasma epitaxy

Journal of Physics D Applied Physics ◽

10.1088/0022-3727/46/42/425302 ◽

2013 ◽

Vol 46 (42) ◽

pp. 425302 ◽

Cited By ~ 3

Author(s):

L W Chen ◽

Y Shibuta ◽

M Kambara ◽

T Yoshida

Keyword(s):

Molecular Dynamics ◽

Fast Rate ◽

Investigation on the Interaction of Dabrafenib with Human Serum Albumin Using Combined Experiment and Molecular Dynamics Simulation: Exploring the Binding Mechanism, Esterase-like Activity, and Antioxidant Activity

Molecular Pharmaceutics ◽

10.1021/acs.molpharmaceut.8b00806 ◽

2018 ◽

Vol 15 (12) ◽

pp. 5637-5645 ◽

Cited By ~ 2

Author(s):

Zili Suo ◽

Xinnuo Xiong ◽

Qiaomei Sun ◽

Ludan Zhao ◽

Peixiao Tang ◽

...

Keyword(s):

Molecular Dynamics ◽

Antioxidant Activity ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Mechanism

The partition and transport behavior of cytotoxic ionic liquids (ILs) through the DPPC bilayer: Insights from molecular dynamics simulation

Molecular Membrane Biology ◽

10.1080/09687688.2017.1384859 ◽

2016 ◽

Vol 33 (3-5) ◽

pp. 64-75 ◽

Cited By ~ 3

Author(s):

Mokhtar Ganjali Koli ◽

Khaled Azizi

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Dynamics Simulation ◽

Transport Behavior ◽

Dppc Bilayer