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- Currently displaying 341 - 360 of 689 publications
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 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
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
Journal of Physical Chemistry B
(2008)
112
2456
(doi: 10.1021/jp076628e)
Protein structure prediction using basin-hopping (9 pages).
J. Chem. Phys.
(2008)
128
225106
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
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.
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
J. Chem. Phys.
(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)
