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- Currently displaying 341 - 360 of 685 publications
Tilted and helical columnar phases for an axially symmetric discoidal system.
Physical Review Letters
(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)
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
Pathways for Conformational Change in Nitrogen Regulatory Protein C from Discrete Path Sampling.
J. Phys. Chem. B
(2008)
112
2456-2465
Protein structure prediction using basin-hopping (9 pages).
J. Chem. Phys.
(2008)
128
225106
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide
J. Chem. Theor. Comput.
(2008)
4
657-672
Geometry optimization for peptides and proteins: Comparison of Cartesian and internal coordinates (8 pages).
The Journal of chemical physics
(2007)
127
234105
(doi: 10.1063/1.2807227)
Thermodynamics and kinetics of aggregation for the GNNQQNY peptide
J Am Chem Soc
(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
Phys Rev Lett
(2007)
99
086106
Exploring energy landscapes with explicit and implicit water
ABSTR PAP AM CHEM S
(2007)
234
Equilibrium density of states and thermodynamic properties of a model glass former (11 pages).
The Journal of chemical physics
(2007)
127
044508
(doi: 10.1063/1.2749725)
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
The European Physical Journal D
(2007)
43
57
(doi: 10.1140/epjd/e2007-00092-x)
Energy landscapes for water clusters in a uniform electric field
The Journal of chemical physics
(2007)
126
054506
(doi: 10.1063/1.2429659)
Theory of C2Hx species on Pt{110} (1x2): Reaction pathways for dehydrogenation
Journal of Chemical Physics
(2007)
126
044710
(doi: 10.1063/1.2429068)
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide.
J. Amer. Chem. Soc.
(2007)
129
16005-16014
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
Eur. Phys. J. D
(2007)
43
57-60
