Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 241 - 260 of 695 publications
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method.
Journal of Chemical Physics
(2014)
141
18c525
(doi: 10.1063/1.4896513)
Large-scale density functional theory transition state searching in enzymes
Journal of Physical Chemistry Letters
(2014)
5
3614
(doi: 10.1021/jz5018703)
Investigating the Solid-Liquid Phase Transition of Water Nanofilms Using the Generalized Replica Exchange Method
The Journal of Chemical Physics
(2014)
141
18C525
(doi: 10.1063/1.4896513.)
Communication: Newton homotopies for sampling stationary points of potential energy landscapes
The Journal of Chemical Physics
(2014)
141
121104
(doi: 10.1063/1.4896657)
Superposition enhanced nested sampling
Physical Review X
(2014)
4
031034
(doi: 10.1103/PhysRevX.4.031034)
Communication: optimal parameters for basin-hopping global optimization based on Tsallis statistics.
The Journal of Chemical Physics
(2014)
141
071101
(doi: 10.1063/1.4893344)
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
J Phys Chem B
(2014)
118
8540
(doi: 10.1021/jp503816r)
Certification and the potential energy landscape.
The 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.
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
(2014)
16
2842
(doi: 10.1039/c3cp53537a)
Exploring energy landscapes: from molecular to mesoscopic systems.
Phys Chem Chem Phys
(2014)
16
5014
(doi: 10.1039/c3cp52603h)
