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- Currently displaying 261 - 280 of 709 publications
Structure and properties of DNA in apolar solvents
J Phys Chem B
(2014)
118
8540
(doi: 10.1021/jp503816r)
Certification and the potential energy landscape
Journal of Chemical Physics
(2014)
140
224114
(doi: 10.1063/1.4881638)
Potential energy landscape of the two-dimensional XY model: Higher-index stationary points
Journal of Chemical Physics
(2014)
140
224503
(doi: 10.1063/1.4880417)
An inversion-relaxation approach for sampling stationary points of spin model Hamiltonians
The Journal of chemical physics
(2014)
140
194104
(doi: 10.1063/1.4875697)
Proton transfer pathways, energy landscape, and kinetics in creatine-water systems
The Journal of Physical Chemistry B
(2014)
118
1969
(doi: 10.1021/jp410172k)
Wide Exploration of OPEP Protein Energy Landscapes using Advanced Monte Carlo Methods
Biophysical Journal
(2014)
106
256a
(doi: 10.1016/j.bpj.2013.11.1505)
A Kinetic Approach to the Sequence–Aggregation Relationship in Disease-Related Protein Assembly
The Journal of Physical Chemistry B
(2014)
118
1003
(doi: 10.1021/jp412648u)
Design principles for Bernal spirals and helices with tunable pitch
Nanoscale
(2014)
6
9448
(doi: 10.1039/c4nr00324a)
Exploring energy landscapes: From molecular to mesoscopic systems
Physical Chemistry Chemical Physics
(2014)
16
5014
(doi: 10.1039/c3cp52603h)
A conformational factorisation approach for estimating the binding free energies of macromolecules.
Phys. Chem. Chem. Phys.
(2014)
16
2842
(doi: 10.1039/c3cp53537a)
Observation time scale, free-energy landscapes, and molecular symmetry.
Proceedings of the National Academy of Sciences of the United States of America
(2013)
111
617
(doi: 10.1073/pnas.1319599111)
Communication: A new paradigm for structure prediction in multicomponent systems
The Journal of chemical physics
(2013)
139
221101
(doi: 10.1063/1.4843956)
Potential energy landscapes for the 2D XY model: Minima, transition states, and pathways
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4830400)
Communication: Kinetics of chemical ordering in ag-au and ag-ni nanoalloys
The Journal of Chemical Physics
(2013)
139
111102
(doi: 10.1063/1.4821582)
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling
Chemical Physics Letters
(2013)
584
1
(doi: 10.1016/j.cplett.2013.07.066)
Energy landscapes and tunneling splittings for water clusters
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
246
Exploring energy landscapes: Metrics, pathways, and normal-mode analysis for rigid-body molecules
Journal of Chemical Theory and Computation
(2013)
9
4026
(doi: 10.1021/ct400403y)
A left-handed building block self-assembles into right- and left-handed helices
RSC Advances
(2013)
3
12905
(doi: 10.1039/c3ra41813h)
