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  • Currently displaying 1 - 20 of 551 publications
Mapping Surface Hydrophobicity of α-Synuclein Oligomers at the Nanoscale.
J-E Lee, JC Sang, M Rodrigues, AR Carr, MH Horrocks, S De, MN Bongiovanni, P Flagmeier, CM Dobson, DJ Wales, SF Lee, D Klenerman
– Nano Letters
(2018)
Mutational Basin-Hopping: Combined Structure and Sequence Optimization for Biomolecules
K Röder, DJ Wales
– J Phys Chem Lett
(2018)
9,
6169
Analysis of the Ub to Ub-CR Transition in Ubiquitin
K Röder, DJ Wales
– Biochemistry
(2018)
57,
6180
Effects of random pinning on the potential energy landscape of a supercooled liquid
SP Niblett, VK de Souza, RL Jack, DJ Wales
– Journal of Chemical Physics
(2018)
149,
114503
Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics
WTS Cole, Ö Yönder, AA Sheikh, RS Fellers, MR Viant, RJ Saykally, JD Farrell, DJ Wales
– J Phys Chem A
(2018)
122,
7421
Proline provides site-specific flexibility for in vivo collagen
WY Chow, CJ Forman, D Bihan, AM Puszkarska, R Rajan, DG Reid, DA Slatter, LJ Colwell, DJ Wales, RW Farndale, MJ Duer
– Scientific Reports
(2018)
8,
13809
Computational Studies of the Mechanical Stability for Single-Strand Break DNA.
P Krupa, DJ Wales, AK Sieradzan
– The journal of physical chemistry. B
(2018)
122,
8166
Predicting Pathways between Distant Configurations for Biomolecules
K Roder, DJ Wales
– JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14,
4271
Predicting Pathways Between Distant Configurations for Biomolecules
K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
14,
4271
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides.
JS Klimavicz, K Röder, DJ Wales
– Journal of chemical theory and computation
(2018)
14,
3870
Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat.
CL Vaillant, DJ Wales, SC Althorpe
– J Chem Phys
(2018)
148,
234102
Exotic bilayer crystals in a strong magnetic field
WN Faugno, AJ Duthie, DJ Wales, JK Jain
– Physical Review B
(2018)
97,
ARTN 245424
Evolved Minimal Frustration in Multifunctional Biomolecules.
K Röder, DJ Wales
– The Journal of Physical Chemistry B
(2018)
Loss surface of XOR artificial neural networks
D Mehta, X Zhao, EA Bernal, DJ Wales
– Phys Rev E
(2018)
97,
052307
From sticky-hard-sphere to Lennard-Jones-type clusters.
L Trombach, RS Hoy, DJ Wales, P Schwerdtfeger
– Physical Review E
(2018)
97,
043309
Exploring Energy Landscapes
DJ Wales
– Annu Rev Phys Chem
(2018)
69,
401
Energy Landscapes for the Aggregation of Aβ 17–42
K Röder, DJ Wales
– Journal of the American Chemical Society
(2018)
140,
4018
Terahertz VRT spectroscopy of the water hexamer-d12prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
WTS Cole, JD Farrell, AA Sheikh, Ö Yönder, RS Fellers, MR Viant, DJ Wales, RJ Saykally
– Journal of Chemical Physics
(2018)
148,
ARTN 094301
Designing hierarchical molecular complexity: icosahedra of addressable icosahedra
SN Fejer, RG Mantell, DJ Wales
– Molecular Physics
(2018)
116,
2954
Kinetics of Molecular Diffusion and Self-Assembly: Glycine on Cu{110}
JB Rommel, DJ Wales
– Journal of Physical Chemistry C
(2018)
122,
782