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- Currently displaying 341 - 360 of 694 publications
Energy landscapes for shells assembled from pentagonal and hexagonal pyramids.
Phys. Chem. Chem. Phys.
(2009)
11
2098-2104
(doi: 10.1039/b818062h)
Simulations of rigid bodies in an angle-axis framework
Physical Chemistry Chemical Physics
(2009)
11
1970
(doi: 10.1039/b818054g)
Stepwise melting of a model glass former under confinement (9 pages).
J. Chem. Phys.
(2009)
131
134504
Rational design of helical architectures.
Proc. Nat. Acad. Sci. USA
(2009)
106
20164-20287
Refined kinetic transition networks for the GB1 hairpin peptide.
Phys. Chem. Chem. Phys.
(2009)
11
3341-3354
Simulations of rigid bodies in an angle-axis framework.
Phys. Chem. Chem. Phys.
(2009)
11
1970-1976
Spontaneous self-assembly of silica nanocages into inorganic framework materials
Journal of Physical Chemistry C
(2008)
113
518
(doi: 10.1021/jp804528z)
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.
J. Chem. Phys.
(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 beta-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
9998-10004
(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
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2008)
77
051709
(doi: 10.1103/PhysRevE.77.051709)
Comment on "Critical analysis of negative heat capacities in nanoclusters" by Michaelian K. and Santamaria-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
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
J Phys Chem B
(2008)
112
2456
(doi: 10.1021/jp076628e)
