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- Currently displaying 341 - 360 of 688 publications
PHYS 96-Protein folding using basin-hopping and energy landscapes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
236
Folding Pathways and Rates for the Three-Stranded beta-Sheet Peptide Beta3s using Discrete Path Sampling.
The Journal of Physical Chemistry B
(2008)
112
8760
(doi: 10.1021/jp801777p)
Characterizing the first steps of amyloid formation for the ccbeta peptide.
Journal of Physical Chemistry B
(2008)
112
9998
(doi: 10.1021/jp801222x)
Protein structure prediction using basin-hopping.
J Chem Phys
(2008)
128
225106
(doi: 10.1063/1.2929833)
Structural trends in clusters of quadrupolar spheres
Molecular Physics
(2008)
106
1655
(doi: 10.1080/00268970802270067)
Energy landscape of a model discotic liquid crystal.
Phys. Rev. E
(2008)
77
051709
(doi: 10.1103/physreve.77.051709)
Comment on “Critical analysis of negative heat capacities in nanoclusters” by Michaelian K. and Santamaría-Holek I.
Europhysics Letters
(2008)
82
43003
(doi: 10.1209/0295-5075/82/43003)
Relaxation of caloric curves on complex potential energy surfaces.
Journal of Chemical Physics
(2008)
128
154501
(doi: 10.1063/1.2850322)
Tilted and helical columnar phases for an axially symmetric discoidal system
Phys Rev Lett
(2008)
100
127801
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide
J Chem Theory Comput
(2008)
4
657
(doi: 10.1021/ct700305w)
Pathways for conformational change in nitrogen regulatory protein C from discrete path sampling.
J Phys Chem B
(2008)
112
2456
(doi: 10.1021/jp076628e)
Protein structure prediction using basin-hopping (9 pages).
J. Chem. Phys.
(2008)
128
225106
Pathways for Conformational Change in Nitrogen Regulatory Protein C from Discrete Path Sampling.
J. Phys. Chem. B
(2008)
112
2456-2465
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide
J. Chem. Theor. Comput.
(2008)
4
657-672
Relaxation of caloric curves on complex potential energy surfaces (10 pages).
J. Chem. Phys.
(2008)
128
154501
Structural trends in clusters of quadrupolar spheres.
Mol. Phys.
(2008)
106
1655-1664
Geometry optimization for peptides and proteins: comparison of Cartesian and internal coordinates.
J Chem Phys
(2007)
127
234105
(doi: 10.1063/1.2807227)
Thermodynamics and kinetics of aggregation for the GNNQQNY peptide.
Journal of the American Chemical Society
(2007)
129
16005
(doi: 10.1021/ja075346p)
Comparison of double-ended transition state search methods
J. Chem. Phys.
(2007)
127
134102
(doi: 10.1063/1.2767621)
Helix self-assembly from anisotropic molecules
Physical Review Letters
(2007)
99
086106
