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- Currently displaying 241 - 260 of 688 publications
Communication: Analysing kinetic transition networks for rare events
Journal of Chemical Physics
(2014)
141
041104
(doi: 10.1063/1.4891356)
Structure and Properties of DNA in Apolar Solvents
Journal of Physical Chemistry 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.
J Chem Phys
(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
J Phys Chem B
(2014)
118
1969
(doi: 10.1021/jp410172k)
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)
A conformational factorisation approach for estimating the binding free energies of macromolecules
Physical chemistry chemical physics : PCCP
(2014)
16
2842
(doi: 10.1039/c3cp53537a)
Exploring energy landscapes: from molecular to mesoscopic systems
Physical chemistry chemical physics : PCCP
(2014)
16
5014
(doi: 10.1039/c3cp52603h)
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)
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)
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)
