skip to content

Research Associate

My research focusses on multifunnel energy landscapes associated with most proteins, as wells as RNA and DNA strands.

As these landscapes can be easily perturbed in nature by mutations, we atttempt to understand these changes by computationally exploring the energy landscapes of various mutants for a given system. We then link changes in the energy landscape to shifts in the observed conformational ensembles, changed mechanistic pathways between ensembles, and other observable properties such as NMR shifts.

Publications

Mutational Basin-Hopping: Combined Structure and Sequence Optimization for Biomolecules.
K Röder, DJ Wales
– Journal of Physical Chemistry Letters
(2018)
9,
6169
Analysis of the Ub to Ub-CR transition in ubiquitin
K Röder, DJ Wales
– Biochemistry
(2018)
57,
6180
Predicting Pathways between Distant Configurations for Biomolecules
K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
14,
4271
Predicting Pathways between Distant Configurations for Biomolecules
K Roder, DJ Wales
– JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14,
4271
The energy landscapes of mini-dumbbell DNA octanucleotides
JS Klimavicz, K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
14,
3870
Energy Landscapes for the Aggregation of Aβ
K Röder, DJ Wales
– Journal of the American Chemical Society
(2018)
140,
4018
Exploring biomolecular energy landscapes
JA Joseph, K Röder, D Chakraborty, RG Mantell, DJ Wales
– Chem Commun (Camb)
(2017)
53,
6974
Transforming the Energy Landscape of a Coiled-Coil Peptide via Point Mutations.
K Röder, DJ Wales
– Journal of chemical theory and computation
(2017)
13,
1468
Investigating the structural changes due to adenosine methylation of the Kaposi’s sarcoma-associated herpes virus ORF50 transcript
K Röder, AM Barker, A Whitehouse, S Pasquali
Comparison of coarse-grained and all-atom representations by explicit energy landscape explorations
Y Ma, A Monsavior, S Pasquali, K Roeder
  • <
  • 2 of 2

Upcoming Events

RNA pseudoknot reorganisation

3IA Universite Cote d'Azur

Postdoctoral researcher

Telephone number

01223 336423 (shared)

Email address