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The Journal of Chemical Physics|July 23, 2004
The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamicsDavid A Evans, David J Wales, Brian C Dian, et al.Physical Chemistry Chemical Physics : PCCP|July 18, 2015
Energy landscapes of a hairpin peptide including NMR chemical shift restraintsJoanne M Carr, Chris S Whittleston, David C Wade, et al.Physical Chemistry Chemical Physics : PCCP|November 12, 2013
A conformational factorisation approach for estimating the binding free energies of macromoleculesKenji Mochizuki, Chris S Whittleston, Sandeep Somani, et al.The Journal of Physical Chemistry. B|March 3, 2006
Theory of C2Hx species on Pt{110}(1x2): structure, stability, and thermal chemistryAlexandra T Anghel, Stephen J Jenkins, David J Wales, et al.The Journal of Physical Chemistry. B|July 24, 2008
Characterizing the first steps of amyloid formation for the ccbeta peptideBirgit Strodel, Anthony W Fitzpatrick, Michele Vendruscolo, et al.Physical Review. E|February 13, 2016
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packingsStefano Martiniani, K Julian Schrenk, Jacob D Stevenson, et al.Journal of the American Chemical Society|October 15, 2014
Direct observation of intermediates in a thermodynamically controlled solid-state dynamic covalent reactionAna M Belenguer, Giulio I Lampronti, David J Wales, et al.Nucleic Acids Research|November 17, 2019
Structural transitions in the RNA 7SK 5' hairpin and their effect on HEXIM bindingKonstantin Röder, Guillaume Stirnemann, Anne-Catherine Dock-Bregeon, et al.Soft Matter|June 7, 2016
Energetically favoured defects in dense packings of particles on spherical surfacesStefan Paquay, Halim Kusumaatmaja, David J Wales, et al.ACS Nano|September 7, 2021
Minimal Design Principles for Icosahedral Virus CapsidsManuel Martín-Bravo, Jose M Gomez Llorente, Javier Hernández-Rojas, et al.Pageof 26