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- Currently displaying 361 - 380 of 700 publications
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
J Chem Theory Comput
(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)
Pathways for Conformational Change in Nitrogen Regulatory Protein C from Discrete Path Sampling.
J. Phys. Chem. B
(2008)
112
2456-2465
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
Relaxation of caloric curves on complex potential energy surfaces (10 pages).
J. Chem. Phys.
(2008)
128
154501
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.
J. Chem. Phys.
(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 (12 pages).
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Equilibrium density of states and thermodynamic properties of a model glass former
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
J. Chem. Phys.
(2007)
126
054506
(doi: 10.1063/1.2429659)
Theory of C2Hx species on Pt{110} (1×2): Reaction pathways for dehydrogenation
Journal of Chemical Physics
(2007)
126
044710
(doi: 10.1063/1.2429068)
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
Eur. Phys. J. D
(2007)
43
57-60
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide.
J. Amer. Chem. Soc.
(2007)
129
16005-16014
