The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules

K. Röder, D. J. Wales

Front. Mol. Biosci., vol. 9, 2022, p. 820792

RNA modelling with the computational energy landscape framework

K. Röder, S. Pasquali

Methods in Molecular Biology, L. Ponchon, RNA Scaffolds, vol. 2323, Humana, New York, 2021, pp. 49-66

Energy landscapes for proteins: From single funnels to multifunctional systems

K. Röder, J. A. Joseph, B. E. Husic, D. J. Wales

Adv. Theory Simul., vol. 2, 2019, p. 1800175

Evolved minimal frustration in multifunctional biomolecules

K. Röder, D. J. Wales

J. Phys. Chem. B, vol. 122(49), 2018, pp. 10989-10995

Exploring biomolecular energy landscapes

J. A. Joseph, K. Röder, D. Chakraborty, R. G. Mantell, D. J. Wales

Chem. Commun., vol. 53(52), 2017, pp. 6974-6988

Investigating the structural changes due to adenosine methylation of the Kaposi’s sarcoma-associated herpes virus ORF50 transcript

Konstantin Röder, Amy M Barker, Adrian Whitehouse, Samuela Pasquali

PLOS Comput. Biol., vol. 18(5), 2022, pp. e1010150

Structural transitions in the RNA 7SK 5' hairpin and their effect on HEXIM binding

K. Röder, G. Stirnemann, A.-C. Dock-Bregeon, D. J. Wales, S. Pasquali

Nucleic Acids Res., vol. 48(1), 2020, pp. 373-389

Energy Landscapes of Deoxyxylo-and Xylo-Nucleic Acid Octamers

D. J. Sharpe, K. Röder, D. J. Wales

J. Phys. Chem. B, vol. 124(20), 2020, pp. 4062-4068

The energy landscapes of mini-dumbell DNA octanucleotides

J. S. Klimavicz, K. Röder, D. J. Wales

J. Chem. Theory. Comput., vol. 14(7), 2018, pp. 3870-3876

Chemical bonds in collagen rupture selectively under tensile stress

James Rowe, Konstantin Röder

Phys. Chem. Chem. Phys., vol. 25, 2023, pp. 2331-2341

The effects of glycine to alanine mutations on the structure of GPO collagen model peptides

K. Röder

Phys. Chem. Chem. Phys., vol. 24(3), 2022, pp. 1610-1619

Is the H4 histone tail intrinsically disordered or intrinsically multifunctional?

K. Röder

Phys. Chem. Chem. Phys., vol. 23(9), 2021, pp. 5134-5142

Affinity-selected bicyclic peptide G-quadruplex ligands mimic a protein-like binding mechanism

K. C. Liu, K. Röder, C. Mayer, S. Adhikari, D. J. Wales, S. Balsubramanian

J. Am. Chem. Soc., vol. 142(18), 2020, pp. 8367-8373

Energy landscapes for the aggregation of Aβ(17-42)

K. Röder, D. J. Wales

J. Am. Chem. Soc., vol. 140, 2018, pp. 4018-4027

Analysis of the Ub to Ub-CR transition in ubiquitin

K. Röder, D. J. Wales

Biochemistry, vol. 57(43), 2018, pp. 6180-6186

Transforming the energy landscape of a coiled-coil peptide via point mutations

Konstantin Röder, David J. Wales

J. Chem. Theory Comput., vol. 13(3), 2017, pp. 1468-1477

Predicting Pathways between Distant Configurations for Biomolecules

K. Röder, D. J. Wales

J. Chem. Theory Comput., vol. 14, pp. 4271-4278

Improving double-ended transition state searches for soft-matter systems

K. Röder, D. J. Wales

J. Chem. Phys., vol. 153(3), 2020, p. 034104

Mutational basin-hopping: Combined structure and sequence optimization for biomolecules

K. Röder, D. J. Wales

J.Phys. Chem. Lett., vol. 9(21), 2018, pp. 6169--6173