pH-Dependent Interactions of Human Islet Amyloid Polypeptide Segments with Insulin Studied by Replica Exchange Molecular Dynamics Simulations

Human Islet ◽

Replica Exchange ◽

Islet Amyloid ◽

Ph Dependent ◽

Molecular Dynamics Simulations of Human Islet Amyloid Polypeptide (IAPP) Oligomers and their Interactions with Lipid Bilayers

Biophysical Journal ◽

10.1016/j.bpj.2010.12.1308 ◽

2011 ◽

Vol 100 (3) ◽

pp. 200a-201a ◽

Cited By ~ 2

Author(s):

Jun Zhao ◽

Xiang Yu ◽

Chao Zhao ◽

Qiuming Wang ◽

Jie Zheng

Keyword(s):

Molecular Dynamics ◽

Lipid Bilayers ◽

Human Islet ◽

Islet Amyloid ◽

Molecular Dynamics Simulations Reveal the Inhibitory Mechanism of Dopamine against Human Islet Amyloid Polypeptide (hIAPP) Aggregation and Its Destabilization Effect on hIAPP Protofibrils

ACS Chemical Neuroscience ◽

10.1021/acschemneuro.9b00393 ◽

2019 ◽

Vol 10 (9) ◽

pp. 4151-4159 ◽

Cited By ~ 9

Author(s):

Zenghui Lao ◽

Yujie Chen ◽

Yiming Tang ◽

Guanghong Wei

Keyword(s):

Molecular Dynamics ◽

Human Islet ◽

Inhibitory Mechanism ◽

Islet Amyloid ◽

Lipid Interaction and Membrane Perturbation of Human Islet Amyloid Polypeptide Monomer and Dimer by Molecular Dynamics Simulations

PLoS ONE ◽

10.1371/journal.pone.0038191 ◽

2012 ◽

Vol 7 (5) ◽

pp. e38191 ◽

Cited By ~ 29

Author(s):

Yun Zhang ◽

Yin Luo ◽

Yonghua Deng ◽

Yuguang Mu ◽

Guanghong Wei

Keyword(s):

Molecular Dynamics ◽

Human Islet ◽

Islet Amyloid ◽

Membrane Perturbation ◽

Dynamics Simulations ◽

Lipid Interaction

Dynamics of the conformational transitions during the dimerization of an intrinsically disordered peptide: a case study on the human islet amyloid polypeptide fragment

Physical Chemistry Chemical Physics ◽

10.1039/c6cp05590g ◽

2016 ◽

Vol 18 (43) ◽

pp. 29892-29904 ◽

Cited By ~ 12

Author(s):

Qin Qiao ◽

Ruxi Qi ◽

Guanghong Wei ◽

Xuhui Huang

Keyword(s):

Molecular Dynamics ◽

Conformational Transitions ◽

Human Islet ◽

Islet Amyloid ◽

Intrinsically Disordered ◽

Intrinsically Disordered Peptide ◽

Dimerization pathways of the human islet amyloid polypeptide fragment are elucidated from extensive molecular dynamics simulations.

Faculty Opinions recommendation of Mechanism of intracellular block of the KcsA K+ channel by tetrabutylammonium: insights from X-ray crystallography, electrophysiology and replica-exchange molecular dynamics simulations.

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

10.3410/f.1048003.498039 ◽

2006 ◽

Author(s):

D Peter Tieleman

Keyword(s):

Molecular Dynamics ◽

Replica Exchange ◽

K Channel ◽

X Ray ◽

X Ray Crystallography ◽

Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models

The Journal of Physical Chemistry B ◽

10.1021/jp802469g ◽

2008 ◽

Vol 112 (47) ◽

pp. 15064-15073 ◽

Cited By ~ 33

Author(s):

In-Chul Yeh ◽

Michael S. Lee ◽

Mark A. Olson

Keyword(s):

Molecular Dynamics ◽

Heat Capacity ◽

Replica Exchange ◽

Implicit Solvent ◽

Solvent Models ◽

Dynamics Simulations ◽

Implicit Solvent Models

3P314 Conformational analysis of PA-glycans by replica-exchange molecular dynamics simulations(30.Miscellaneous topics,Poster,The 51st Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.53.s264_1 ◽

2013 ◽

Vol 53 (supplement1-2) ◽

pp. S264

Author(s):

Shigehisa Watanabe ◽

Suyong Re ◽

Eiro Muneyuki ◽

Yuji Sugita

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Annual Meeting ◽

Replica Exchange ◽

Biophysical Society ◽

Insights into the Folding and Unfolding Processes of Wild-Type and Mutated SH3 Domain by Molecular Dynamics and Replica Exchange Molecular Dynamics Simulations

PLoS ONE ◽

10.1371/journal.pone.0064886 ◽

2013 ◽

Vol 8 (5) ◽

pp. e64886 ◽

Cited By ~ 6

Author(s):

Wen-Ting Chu ◽

Ji-Long Zhang ◽

Qing-Chuan Zheng ◽

Lin Chen ◽

Hong-Xing Zhang

Keyword(s):

Molecular Dynamics ◽

Sh3 Domain ◽

Replica Exchange ◽

Wild Type ◽

Effects of force fields on the conformational and dynamic properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.25439 ◽

2017 ◽

Vol 86 (3) ◽

pp. 279-300 ◽

Cited By ~ 13

Author(s):

Charles R. Watts ◽

Andrew Gregory ◽

Cole Frisbie ◽

Sándor Lovas

Keyword(s):

Molecular Dynamics ◽

Force Fields ◽

Dynamic Properties ◽

Amyloid Β ◽

Replica Exchange ◽

Folding of a DNA Hairpin Loop Structure in Explicit Solvent Using Replica-Exchange Molecular Dynamics Simulations

Biophysical Journal ◽

10.1529/biophysj.107.108019 ◽

2007 ◽

Vol 93 (9) ◽

pp. 3218-3228 ◽

Cited By ~ 40

Author(s):

Srinivasaraghavan Kannan ◽

Martin Zacharias

Keyword(s):

Molecular Dynamics ◽

Replica Exchange ◽

Loop Structure ◽

Hairpin Loop ◽

Dna Hairpin ◽

Explicit Solvent ◽