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 181 - 200 of 688 publications
Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local Rigidification.
Journal of chemical theory and computation
(2016)
12
6109
(doi: 10.1021/acs.jctc.6b00734)
Coarse-Grained Simulations Complemented by Atomistic Molecular Dynamics Provide New Insights into Folding and Unfolding of Human Telomeric G‑Quadruplexes
Journal of Chemical Theory and Computation
(2016)
12
6077
(doi: 10.1021/acs.jctc.6b00667)
Probing helical transitions in a DNA duplex†
Physical Chemistry Chemical Physics
(2016)
(doi: 10.1039/C6CP06309H)
Impurity effects on solid-solid transitions in atomic clusters.
Nanoscale
(2016)
8
18326
(doi: 10.1039/c6nr06299g)
Potential energy landscapes of tetragonal pyramid molecules
Chemical Physics Letters
(2016)
664
5
(doi: 10.1016/j.cplett.2016.09.058)
Prediction of Sepsis in the Intensive Care Unit With Minimal Electronic Health Record Data: A Machine Learning Approach
JMIR medical informatics
(2016)
4
e28
(doi: 10.2196/medinform.5909)
Preventing Structural Rearrangements on Battery Cycling: A First-Principles Investigation of the Effect of Dopants on the Migration Barriers in Layered Li0.5MnO2
Journal of Physical Chemistry C
(2016)
120
19521
(doi: 10.1021/acs.jpcc.6b05307)
Structural analysis of high-dimensional basins of attraction.
Physical review. E
(2016)
94
031301
(doi: 10.1103/physreve.94.031301)
Trapping of hydrogen atoms inside small beryllium clusters and their ions
Chemical Physics Letters
(2016)
659
282
(doi: 10.1016/j.cplett.2016.07.054)
Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 mm
Science (New York, N.Y.)
(2016)
352
1194
(doi: 10.1126/science.aad8625)
Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl.
The Journal of Chemical Physics
(2016)
145
024505
(doi: 10.1063/1.4954324)
Kinetic Transition Networks for the Thomson Problem and Smale's Seventh Problem.
Phys Rev Lett
(2016)
117
028301
The potential energy landscape for crystallisation of a Lennard-Jones fluid
Journal of Statistical Mechanics Theory and Experiment
(2016)
2016
074001
Energy landscapes for a machine-learning prediction of patient discharge
Phys Rev E
(2016)
93
063310
(doi: 10.1103/physreve.93.063310)
Conformational Energy Landscape of the Ritonavir Molecule.
J Phys Chem B
(2016)
120
4331
(doi: 10.1021/acs.jpcb.5b12272)
Dynamical properties of two- and three-dimensional colloidal clusters of six particles.
Phys Chem Chem Phys
(2016)
18
12725
(doi: 10.1039/c6cp00677a)
Energy landscapes for a machine learning application to series data
J Chem Phys
(2016)
144
124119
(doi: 10.1063/1.4944672)
Quantum tunneling splittings from path-integral molecular dynamics.
J Chem Phys
(2016)
144
114108
(doi: 10.1063/1.4943867)
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
Science
(2016)
351
1310
(doi: 10.1126/science.aae0012)
Energy landscapes and persistent minima
The Journal of Chemical Physics
(2016)
144
054109
(doi: 10.1063/1.4941052)
