scholarly journals Elucidating the Association and Dissociation Mechanism of β-Amyloid Protein by Targeted Molecular Dynamics Simulations

2010 ◽  
Vol 98 (3) ◽  
pp. 649a
Author(s):  
Chewook Lee ◽  
Sihyun Ham
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Amyloid Protein ◽  
Dissociation Mechanism ◽  
Targeted Molecular Dynamics ◽  
Β Amyloid ◽  
Dynamics Simulations

scholarly journals Molecular Dynamics Simulations Reveal the Protective Role of Cholesterol in β-Amyloid Protein-Induced Membrane Disruptions in Neuronal Membrane Mimics

2011 ◽  
Vol 115 (32) ◽  
pp. 9795-9812 ◽  
Author(s):  
Liming Qiu ◽  
Creighton Buie ◽  
Andrew Reay ◽  
Mark W. Vaughn ◽  
Kwan Hon Cheng
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Protective Role ◽  
Neuronal Membrane ◽  
Amyloid Protein ◽  
Induced Membrane ◽  
Membrane Mimics ◽  
Β Amyloid ◽  
Dynamics Simulations

Behavior of β-Amyloid 1−16 at the Air−Water Interface at Varying pH by Nonlinear Spectroscopy and Molecular Dynamics Simulations

2011 ◽  
Vol 115 (23) ◽  
pp. 5873-5880 ◽  
Author(s):  
Abigail E. Miller ◽  
Poul B. Petersen ◽  
Christopher W. Hollars ◽  
Richard J. Saykally ◽  
Jan Heyda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nonlinear Spectroscopy ◽  
Water Interface ◽  
Air Water Interface ◽  
Β Amyloid ◽  
Dynamics Simulations

scholarly journals Impact of the Mutation A21G (Flemish Variant) on Alzheimer’s β-Amyloid Dimers by Molecular Dynamics Simulations

2006 ◽  
Vol 91 (10) ◽  
pp. 3829-3840 ◽  
Author(s):  
Alexis Huet ◽  
Philippe Derreumaux
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Β Amyloid ◽  
Dynamics Simulations

scholarly journals The Transition between the B and Z Conformations of DNA Investigated by Targeted Molecular Dynamics Simulations with Explicit Solvation

2006 ◽  
Vol 91 (8) ◽  
pp. 2976-2990 ◽  
Author(s):  
Mika A. Kastenholz ◽  
Thomas U. Schwartz ◽  
Philippe H. Hünenberger
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Targeted Molecular Dynamics ◽  
Dynamics Simulations ◽  
Explicit Solvation

Binding of 5‘-GMP to the GluR2 AMPA Receptor:  Insight from Targeted Molecular Dynamics Simulations†

Biochemistry ◽  
2005 ◽  
Vol 44 (44) ◽  
pp. 14470-14476 ◽  
Author(s):  
Jesús Mendieta ◽  
Federico Gago ◽  
Galo Ramírez
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ampa Receptor ◽  
Targeted Molecular Dynamics ◽  
Dynamics Simulations

scholarly journals Estimation of Protein–Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations

2019 ◽  
Vol 59 (12) ◽  
pp. 5135-5147 ◽  
Author(s):  
Steffen Wolf ◽  
Marta Amaral ◽  
Maryse Lowinski ◽  
Francois Vallée ◽  
Djordje Musil ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Targeted Molecular Dynamics ◽  
Dynamics Simulations ◽  
Non Equilibrium

Targeted Molecular Dynamics Simulations of Protein Unfolding

2000 ◽  
Vol 104 (18) ◽  
pp. 4511-4518 ◽  
Author(s):  
Philippe Ferrara ◽  
Joannis Apostolakis ◽  
Amedeo Caflisch
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Protein Unfolding ◽  
Targeted Molecular Dynamics ◽  
Dynamics Simulations
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