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  • Currently displaying 81 - 100 of 654 publications
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
BJ Sutherland, SW Olesen, H Kusumaatmaja, JWR Morgan, DJ Wales
(2019)
Identifying mechanistically distinct pathways in kinetic transition networks
DJ Sharpe, DJ Wales
– J Chem Phys
(2019)
151,
124101
Temperature Controls Guest Uptake and Release from Zn4L4 Tetrahedra
D Zhang, TK Ronson, S Güryel, JD Thoburn, DJ Wales, JR Nitschke
– Journal of the American Chemical Society
(2019)
141,
14534
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.
S Xiao, H Liang, DJ Wales
– Journal of Physical Chemistry Letters
(2019)
10,
4829
Energy landscapes and dynamics of xylo-nucleic acids
DJ Sharpe, K Roeder, DJ Wales
(2019)
Go-Kit: A Tool To Enable Energy Landscape Exploration of Proteins.
S Neelamraju, DJ Wales, S Gosavi
– Journal of chemical information and modeling
(2019)
59,
1703
Dynamics of an adenine-adenine RNA conformational switch from discrete path sampling
D Chakraborty, DJ Wales
– The Journal of Chemical Physics
(2019)
150,
125101
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
K Röder, JA Joseph, BE Husic, DJ Wales
– Advanced Theory and Simulations
(2019)
2,
1800175
Energy Landscape for Fold-Switching in Regulatory Protein RfaH
JA Joseph, D Chakraborty, DJ Wales
– Journal of chemical theory and computation
(2019)
15,
731
Computational Investigation of RNA A‑Bulges Related to the Microtubule-Associated Protein Tau Causing Frontotemporal Dementia and Parkinsonism
DJ Wales, MD Disney, I Yildirim
– The Journal of Physical Chemistry B
(2019)
123,
57
Energy landscapes and molecule-molecule interactions
D Wales
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
257,
Energy Landscape of the Designed Protein Top7
S Neelamraju, S Gosavi, DJ Wales
– The journal of physical chemistry. B
(2018)
122,
12282
Intrinsically Disordered Landscapes for Human CD4 Receptor Peptide.
JA Joseph, DJ Wales
– The Journal of Physical Chemistry B
(2018)
122,
11906
Evolved Minimal Frustration in Multifunctional Biomolecules.
K Röder, DJ Wales
– The journal of physical chemistry. B
(2018)
122,
10989
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)
18,
7494
Designing hierarchical molecular complexity: icosahedra of addressable icosahedra
SN Fejer, RG Mantell, DJ Wales
– Molecular Physics
(2018)
116,
2954
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
– The Journal of Chemical Physics
(2018)
149,
114503
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

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