David Wales - Dissemin

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All papers authored by David Wales

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2024 Patryk A. Wesołowski

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, David J. Wales

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, Philipp Pracht

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Multilevel Framework for Analysis of Protein Folding Involving Disulfide Bond Formation

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2023 Philipp Pracht

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, John W. R. Morgan

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, David J. Wales

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Exploring energy landscapes for solid-state systems with variable cells at the extended tight-binding level

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Meng Su

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, Christian Schmitt, Ziwei Liu

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, Samuel J. Roberts

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, Konstantin Röder

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, Andres Jäschke

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, David J. Wales

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, John D. Sutherland

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Triplet-Encoded Prebiotic RNA Aminoacylation

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Daniel J. Sharpe

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, David J. Wales

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Stable and scalable computation of state visitation probabilities in finite Markov chains

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Esmae J. Woods

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, Deepti Kannan

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, Daniel J. Sharpe

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, Thomas D. Swinburne

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, David J. Wales

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Analysing ill-conditioned Markov chains

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2021 Daniel J. Sharpe

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, David J. Wales

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Nearly reducible finite Markov chains: Theory and algorithms

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Daniel J. Sharpe

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, David J. Wales

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Numerical analysis of first-passage processes in finite Markov chains exhibiting metastability

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Daniel J. Sharpe

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, David J. Wales

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Graph transformation and shortest paths algorithms for finite Markov chains

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Atreyee Banerjee

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, Dipti Jasrasaria

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, Samuel P. Niblett

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, David J. Wales

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Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization

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2020 Hugh G. A. Burton

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, David J. Wales

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Energy Landscapes for Electronic Structure

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Deepti Kannan

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, Daniel J. Sharpe

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, Thomas D. Swinburne

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, David J. Wales

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Optimal dimensionality reduction of Markov chains using graph transformation

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Thomas D. Swinburne

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, Deepti Kannan

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, Daniel J. Sharpe

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, David J. Wales

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Rare events and first passage time statistics from the energy landscape

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Daniel J. Sharpe

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, David J. Wales

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Efficient and exact sampling of transition path ensembles on Markovian networks

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Sathya R. Chitturi

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, Philipp C. Verpoort, Alpha A. Lee, David J. Wales

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Perspective: new insights from loss function landscapes of neural networks

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Kim C. Liu

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, Konstantin Röder

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, Clemens Mayer

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, Santosh Adhikari, David J. Wales

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, Shankar Balasubramanian

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Affinity-Selected Bicyclic Peptide G-Quadruplex Ligands Mimic a Protein-like Binding Mechanism

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2019 Shiyan Xiao

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, Daniel J. Sharpe

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, Debayan Chakraborty

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, David J. Wales

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Energy Landscapes and Hybridization Pathways for DNA Hexamer Duplexes

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Daniel J. Sharpe

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, David J. Wales

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Identifying mechanistically distinct pathways in kinetic transition networks

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Debayan Chakraborty

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, David J. Wales

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Dynamics of an adenine-adenine RNA conformational switch from discrete path sampling

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2018 Jerelle A. Joseph

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, Debayan Chakraborty

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, David J. Wales

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Energy Landscape for Fold-Switching in Regulatory Protein RfaH

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Ji-Eun Lee

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, Jason C. Sang

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, Margarida Rodrigues

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, Alexander R. Carr, Mathew H. Horrocks, Suman De, Marie N. Bongiovanni, Patrick Flagmeier

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, Christopher M. Dobson, David J. Wales

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, Steven F. Lee, David Klenerman

Mapping Surface Hydrophobicity of α-Synuclein Oligomers at the Nanoscale

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