Enhancing the binding of the β-sheet breaker peptide LPFFD to the amyloid-β fibrils by aromatic modifications: A molecular dynamics simulation study

Simulation Study ◽

Amyloid Β ◽

Dynamics Simulation ◽

Destabilization of the Alzheimer’s amyloid-β peptide by a proline-rich β-sheet breaker peptide: a molecular dynamics simulation study

Journal of Molecular Modeling ◽

10.1007/s00894-021-04968-x ◽

2021 ◽

Vol 27 (12) ◽

Author(s):

Pavan Krishna Kanchi ◽

Ashok Kumar Dasmahapatra

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Amyloid Β ◽

Dynamics Simulation ◽

Amyloid Β Peptide ◽

Destabilization of the Alzheimer’s amyloid-β protofibrils by THC: A molecular dynamics simulation study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2021.107889 ◽

2021 ◽

Vol 105 ◽

pp. 107889

Author(s):

Pavan Krishna Kanchi ◽

Ashok Kumar Dasmahapatra

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Amyloid Β ◽

Dynamics Simulation

On the Structural Stability of a Short Three Stranded β-sheet Peptide (Betanova): Replica Exchange Molecular Dynamics Simulation Study

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2010.31.8.2386 ◽

2010 ◽

Vol 31 (8) ◽

pp. 2386-2388

Author(s):

Soon-Min Jang ◽

Eun-Ae Kim ◽

Young-Shang Pak

Keyword(s):

Molecular Dynamics ◽

Structural Stability ◽

Simulation Study ◽

Dynamics Simulation ◽

Replica Exchange ◽

Replica Exchange Molecular Dynamics ◽

Stability of the β-Sheet of the WW Domain: A Molecular Dynamics Simulation Study

Biophysical Journal ◽

10.1016/s0006-3495(99)77059-1 ◽

1999 ◽

Vol 77 (4) ◽

pp. 2191-2198 ◽

Cited By ~ 38

Author(s):

Gulshat T. Ibragimova ◽

Rebecca C. Wade

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Ww Domain ◽

Norepinephrine Inhibits Alzheimer’s Amyloid-β Peptide Aggregation and Destabilizes Amyloid-β Protofibrils: A Molecular Dynamics Simulation Study

ACS Chemical Neuroscience ◽

10.1021/acschemneuro.8b00537 ◽

2019 ◽

Vol 10 (3) ◽

pp. 1585-1594 ◽

Cited By ~ 25

Author(s):

Yu Zou ◽

Zhenyu Qian ◽

Yujie Chen ◽

Hongsheng Qian ◽

Guanghong Wei ◽

...

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Amyloid Β ◽

Dynamics Simulation ◽

Amyloid Β Peptide ◽

Peptide Aggregation

Structural stabilization of a rigid β-sheet cluster of fucosylated proteinase inhibitor PMPC (Pars intercerebralis major peptide C) against thermal denaturation: An unfolding molecular dynamics simulation study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2009.11.003 ◽

2010 ◽

Vol 28 (6) ◽

pp. 487-494 ◽

Cited By ~ 2

Author(s):

Youngjin Choi ◽

Hyunmyung Kim ◽

Jong Hyun Lee ◽

Sungjun Park ◽

Karpjoo Jeong ◽

...

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Proteinase Inhibitor ◽

Thermal Denaturation ◽

Dynamics Simulation ◽

Pars Intercerebralis ◽

Structural Stabilization ◽

A cylinder-shaped double ribbon structure formed by an amyloid hairpin peptide derived from the β-sheet of murine PrP: An X-ray and molecular dynamics simulation study

Journal of Structural Biology ◽

10.1016/j.jsb.2005.03.003 ◽

2005 ◽

Vol 150 (3) ◽

pp. 284-299 ◽

Cited By ~ 6

Author(s):

Vincent Croixmarie ◽

Fatma Briki ◽

Gabriel David ◽

Yves-Marie Coïc ◽

Ludmila Ovtracht ◽

...

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

X Ray ◽

Ribbon Structure ◽

Factors That Affect the Degree of Twist in β-Sheet Structures: A Molecular Dynamics Simulation Study of a Cross-β Filament of the GNNQQNY Peptide

The Journal of Physical Chemistry B ◽

10.1021/jp8078259 ◽

2009 ◽

Vol 113 (6) ◽

pp. 1728-1737 ◽

Cited By ~ 49

Author(s):

Xavier Periole ◽

Aldo Rampioni ◽

Michele Vendruscolo ◽

Alan E. Mark

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Polyproline chains destabilize the Alzheimer’s amyloid-β protofibrils: A molecular dynamics simulation study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2019.107456 ◽

2019 ◽

Vol 93 ◽

pp. 107456 ◽

Cited By ~ 7

Author(s):

Pavan Krishna Kanchi ◽

Ashok Kumar Dasmahapatra

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Amyloid Β ◽

Dynamics Simulation

Factors That Affect the Degree of Twist in β-Sheet Structures: A Molecular Dynamics Simulation Study of a Cross-β Filament of the GNNQQNY Peptide

The Journal of Physical Chemistry B ◽

10.1021/jp905822d ◽

2009 ◽

Vol 113 (30) ◽

pp. 10548-10548

Author(s):

Xavier Periole ◽

Aldo Rampioni ◽

Michele Vendruscolo ◽

Alan E. Mark

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽