Publications by authors named "D Wales"

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Design and Structural Transformations of Zinc(II) Knotted Cage Frameworks.
Yuchong Yang, Sabrina Y Hu, Tanya K Ronson, Paula C P Teeuwen, Sudhakar Gaikwad, David J Wales

Angew Chem Int Ed Engl· December 2025

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Energy Landscape and Kinetic Analysis of Molecular Dynamics Simulations for Intrinsically Disordered Proteins.
Moritz Schäffler, David J Wales, Birgit Strodel

J Phys Chem B· November 2025

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Benchmark of Available Explicit Solvent Models in CHARMM36m to Characterize Glycosaminoglycans.
P A Wesołowski, D J Wales, K K Bojarski

J Phys Chem B· October 2025

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Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained models.
Humanath Poudel, Pathick Halder Shaon, David J Wales, David M Leitner

Phys Chem Chem Phys· October 2025

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Synthesis of covalently linked knotted cage frameworks.
Yuchong Yang, Tanya K Ronson, Paula C P Teeuwen, Simone Zucchelli, Andrew W Heard, David J Wales

Nat Synth· June 2025

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