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- Currently displaying 361 - 380 of 709 publications
Free energy surfaces from an extended harmonic superposition approach and kinetics for alanine dipeptide.
Chemical Physics Letters
(2008)
466
105
(doi: 10.1016/j.cplett.2008.10.085)
Energy landscapes for diffusion: Analysis of cage-breaking processes (13 pages).
The Journal of Chemical Physics
(2008)
129
164507
(doi: 10.1063/1.2992128)
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 β-sheet peptide Beta3s using discrete path sampling
J Phys Chem B
(2008)
112
8760
(doi: 10.1021/jp801777p)
Characterizing the first steps of amyloid formation for the ccβ peptide
J Phys Chem B
(2008)
112
9998
(doi: 10.1021/jp801222x)
Protein structure prediction using basin-hopping
The Journal of Chemical Physics
(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 (8 pages).
Phys. Rev. E
(2008)
77
051709
(doi: 10.1103/PhysRevE.77.051709)
Comment on "Critical analysis of negative heat capacities in nanoclusters"
Europhysics Letters
(2008)
82
43003
(doi: 10.1209/0295-5075/82/43003)
Relaxation of caloric curves on complex potential energy surfaces.
The 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
Journal of chemical theory and computation
(2008)
4
657
(doi: 10.1021/ct700305w)
Pathways for conformational change in nitrogen regulatory protein C from discrete path sampling.
The Journal of Physical Chemistry B
(2008)
112
2456
(doi: 10.1021/jp076628e)
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide
J. Chem. Theor. Comput.
(2008)
4
657-672
Structural trends in clusters of quadrupolar spheres.
Mol. Phys.
(2008)
106
1655-1664
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
Relaxation of caloric curves on complex potential energy surfaces (10 pages).
J. Chem. Phys.
(2008)
128
154501
Geometry optimization for peptides and proteins: Comparison of Cartesian and internal coordinates
The Journal of Chemical Physics
(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)
