1
|
Pathway complexity of Alzheimer's beta-amyloid Abeta16-22 peptide assembly.
|
Structure
|
2004
|
1.14
|
2
|
Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.
|
Chem Rev
|
2015
|
1.10
|
3
|
Role of the region 23-28 in Abeta fibril formation: insights from simulations of the monomers and dimers of Alzheimer's peptides Abeta40 and Abeta42.
|
Curr Alzheimer Res
|
2008
|
1.09
|
4
|
Complex folding pathways in a simple beta-hairpin.
|
Proteins
|
2004
|
1.09
|
5
|
The conformations of the amyloid-beta (21-30) fragment can be described by three families in solution.
|
J Chem Phys
|
2006
|
1.07
|
6
|
Thermodynamics and dynamics of amyloid peptide oligomerization are sequence dependent.
|
Proteins
|
2009
|
1.03
|
7
|
In silico assembly of Alzheimer's Abeta16-22 peptide into beta-sheets.
|
J Am Chem Soc
|
2004
|
1.02
|
8
|
Structures and thermodynamics of Alzheimer's amyloid-beta Abeta(16-35) monomer and dimer by replica exchange molecular dynamics simulations: implication for full-length Abeta fibrillation.
|
J Phys Chem B
|
2009
|
1.01
|
9
|
Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.
|
J Phys Chem B
|
2009
|
1.01
|
10
|
Coarse-grained protein molecular dynamics simulations.
|
J Chem Phys
|
2007
|
0.98
|
11
|
Distinct dimerization for various alloforms of the amyloid-beta protein: Aβ(1-40), Aβ(1-42), and Aβ(1-40)(D23N).
|
J Phys Chem B
|
2012
|
0.95
|
12
|
Structures of soluble amyloid oligomers from computer simulations.
|
Proteins
|
2006
|
0.95
|
13
|
Sampling the self-assembly pathways of KFFE hexamers.
|
Biophys J
|
2004
|
0.93
|
14
|
Computational simulations of the early steps of protein aggregation.
|
Prion
|
2007
|
0.92
|
15
|
Self-assembly of the beta2-microglobulin NHVTLSQ peptide using a coarse-grained protein model reveals a beta-barrel species.
|
J Phys Chem B
|
2008
|
0.91
|
16
|
Structures of Aβ17-42 trimers in isolation and with five small-molecule drugs using a hierarchical computational procedure.
|
J Phys Chem B
|
2012
|
0.91
|
17
|
A multiscale approach to characterize the early aggregation steps of the amyloid-forming peptide GNNQQNY from the yeast prion sup-35.
|
PLoS Comput Biol
|
2011
|
0.89
|
18
|
Effect of the disulfide bond on the monomeric structure of human amylin studied by combined Hamiltonian and temperature replica exchange molecular dynamics simulations.
|
J Phys Chem B
|
2010
|
0.89
|
19
|
The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems.
|
Chem Soc Rev
|
2014
|
0.88
|
20
|
Structure and thermodynamics of amylin dimer studied by Hamiltonian-temperature replica exchange molecular dynamics simulations.
|
J Phys Chem B
|
2011
|
0.87
|
21
|
Aggregating the amyloid Abeta(11-25) peptide into a four-stranded beta-sheet structure.
|
Proteins
|
2006
|
0.86
|
22
|
Molecular dynamics simulations of the bacterial ABC transporter SAV1866 in the closed form.
|
J Phys Chem B
|
2012
|
0.86
|
23
|
Probing amyloid fibril formation of the NFGAIL peptide by computer simulations.
|
J Chem Phys
|
2007
|
0.86
|
24
|
Following the aggregation of amyloid-forming peptides by computer simulations.
|
J Chem Phys
|
2005
|
0.84
|
25
|
Spontaneous formation of polyglutamine nanotubes with molecular dynamics simulations.
|
J Chem Phys
|
2010
|
0.84
|
26
|
Kinetic activation-relaxation technique.
|
Phys Rev E Stat Nonlin Soft Matter Phys
|
2011
|
0.83
|
27
|
All-atom stability and oligomerization simulations of polyglutamine nanotubes with and without the 17-amino-acid N-terminal fragment of the Huntingtin protein.
|
J Phys Chem B
|
2012
|
0.82
|
28
|
Energy landscapes of the monomer and dimer of the Alzheimer's peptide Abeta(1-28).
|
J Chem Phys
|
2008
|
0.82
|
29
|
Self-assembly of amyloid-forming peptides by molecular dynamics simulations.
|
Front Biosci
|
2008
|
0.81
|
30
|
Relationship between dynamical heterogeneities and stretched exponential relaxation.
|
Phys Rev E Stat Nonlin Soft Matter Phys
|
2003
|
0.79
|
31
|
Kinetics of amyloid aggregation: a study of the GNNQQNY prion sequence.
|
PLoS Comput Biol
|
2012
|
0.79
|
32
|
The complex folding pathways of protein A suggest a multiple-funnelled energy landscape.
|
J Chem Phys
|
2008
|
0.79
|
33
|
Understanding the EF-hand closing pathway using non-biased interatomic potentials.
|
J Chem Phys
|
2012
|
0.78
|
34
|
Atomistic mechanisms of huntingtin N-terminal fragment insertion on a phospholipid bilayer revealed by molecular dynamics simulations.
|
Proteins
|
2014
|
0.78
|
35
|
Distinct helix propensities and membrane interactions of human and rat IAPP(1-19) monomers in anionic lipid bilayers.
|
J Phys Chem B
|
2015
|
0.77
|
36
|
The beta-strand-loop-beta-strand conformation is marginally populated in beta2-microglobulin (20-41) peptide in solution as revealed by replica exchange molecular dynamics simulations.
|
Biophys J
|
2008
|
0.76
|
37
|
Large loop conformation sampling using the activation relaxation technique, ART-nouveau method.
|
Proteins
|
2012
|
0.75
|
38
|
Comment on "Mechanism of void nucleation and growth in bcc Fe: atomistic simulations at experimental time scales".
|
Phys Rev Lett
|
2012
|
0.75
|
39
|
Self-organized criticality in the intermediate phase of rigidity percolation.
|
Phys Rev E Stat Nonlin Soft Matter Phys
|
2007
|
0.75
|
40
|
Characterization of the stretched-exponential trap-time distributions in one-dimensional coupled map lattices.
|
Phys Rev E Stat Nonlin Soft Matter Phys
|
2002
|
0.75
|
41
|
Activated sampling in complex materials at finite temperature: the properly obeying probability activation-relaxation technique.
|
J Chem Phys
|
2005
|
0.75
|
42
|
Self-organization with equilibration: a model for the intermediate phase in rigidity percolation.
|
Phys Rev E Stat Nonlin Soft Matter Phys
|
2006
|
0.75
|
43
|
Evolution of the potential-energy surface of amorphous silicon.
|
Phys Rev Lett
|
2010
|
0.75
|
44
|
Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches.
|
J Chem Theory Comput
|
2020
|
0.75
|
45
|
Optimized energy landscape exploration using the ab initio based activation-relaxation technique.
|
J Chem Phys
|
2011
|
0.75
|