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- Currently displaying 361 - 380 of 703 publications
Energy landscape of a model discotic liquid crystal
Phys Rev E Stat Nonlin Soft Matter Phys
(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.
J Chem Phys
(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
Journal of Physical Chemistry B
(2008)
112
2456
(doi: 10.1021/jp076628e)
Structural trends in clusters of quadrupolar spheres.
Mol. Phys.
(2008)
106
1655-1664
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
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
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)
Comparison of double-ended transition state search methods.
The Journal of Chemical Physics
(2007)
127
134102
(doi: 10.1063/1.2767621)
Helix self-assembly from anisotropic molecules
Physical review letters
(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 (11 pages).
J Chem Phys
(2007)
127
044508
(doi: 10.1063/1.2749725)
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
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} (1x2): reaction pathways for dehydrogenation.
The Journal of Chemical Physics
(2007)
126
044710
(doi: 10.1063/1.2429068)
