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  • Currently displaying 321 - 340 of 682 publications
Author(s)
Publication title
Journal Name
Publication year
Refined kinetic transition networks for the GB1 hairpin peptide
JM Carr, DJ Wales
Physical chemistry chemical physics : PCCP
(2009)
11
Energy landscapes for shells assembled from pentagonal and hexagonal pyramids.
SN Fejer, TR James, J Hernández-Rojas, DJ Wales
Physical chemistry chemical physics : PCCP
(2009)
11
Simulations of rigid bodies in an angle-axis framework.
D Chakrabarti, DJ Wales
Physical chemistry chemical physics : PCCP
(2009)
11
Stepwise melting of a model glass former under confinement (9 pages).
F Calvo, DJ Wales
J. Chem. Phys.
(2009)
131
Simulations of rigid bodies in an angle-axis framework.
D Chakrabarti, D Wales
Phys. Chem. Chem. Phys.
(2009)
11
Rational design of helical architectures.
D Chakrabarti, SN Fejer, DJ Wales
Proc. Nat. Acad. Sci. USA
(2009)
106
Refined kinetic transition networks for the GB1 hairpin peptide.
JM Carr, DJ Wales
Phys. Chem. Chem. Phys.
(2009)
11
Spontaneous Self-Assembly of Silica Nanocages into Inorganic Framework Materials
N Ning, F Calvo, ACT van Duin, DJ Wales, H Vach
Journal of Physical Chemistry C
(2008)
113
Free energy surfaces from an extended harmonic superposition approach and kinetics for alanine dipeptide
B Strodel, DJ Wales
Chemical Physics Letters
(2008)
466
Energy landscapes for diffusion: Analysis of cage-breaking processes
VK de Souza, DJ Wales
Journal of Chemical Physics
(2008)
129
PHYS 96-Protein folding using basin-hopping and energy landscapes
MC Prentiss, DJ Wales, PG Wolynes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
236
Folding pathways and rates for the three-stranded β-sheet peptide Beta3s using discrete path sampling
JM Carr, DJ Wales
The journal of physical chemistry. B
(2008)
112
Characterizing the First Steps of Amyloid Formation for the ccβ Peptide
B Strodel, AW Fitzpatrick, M Vendruscolo, CM Dobson, DJ Wales
J Phys Chem B
(2008)
112
Protein structure prediction using basin-hopping.
MC Prentiss, DJ Wales, PG Wolynes
Journal of Chemical Physics
(2008)
128
Structural trends in clusters of quadrupolar spheres
MA Miller, JJ Shepherd, DJ Wales
Molecular Physics
(2008)
106
Energy landscape of a model discotic liquid crystal.
D Chakrabarti, DJ Wales
Physical review. E, Statistical, nonlinear, and soft matter physics
(2008)
77
Comment on “Critical analysis of negative heat capacities in nanoclusters” by Michaelian K. and Santamaría-Holek I.
F Calvo, DJ Wales, JPK Doye, RS Berry, P Labastie, M Schmidt
EPL (Europhysics Letters)
(2008)
82
Relaxation of caloric curves on complex potential energy surfaces.
F Calvo, DJ Wales
Journal of Chemical Physics
(2008)
128
Tilted and helical columnar phases for an axially symmetric discoidal system
D Chakrabarti, DJ Wales
Phys. Rev. Lett.
(2008)
100
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide
B Strodel, DJ Wales
J Chem Theory Comput
(2008)
4