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The Journal of Chemical Physics|January 6, 2006
Influence of vibrational energy flow on isomerization of flexible molecules: incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerizationJohnson K Agbo, David M Leitner, David A Evans, et al.
Frontiers in Chemistry|October 26, 2020
Energy Landscape for the Membrane Fusion Pathway in Influenza A Hemagglutinin From Discrete Path SamplingDavid F Burke, Rosemary G Mantell, Catherine E Pitt, et al.
Journal of the American Chemical Society|September 9, 2010
Transmembrane structures for Alzheimer's Aβ(1-42) oligomersBirgit Strodel, Jason W L Lee, Christopher S Whittleston, et al.
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|October 2, 2023
Preorganized Internal Electric Field Promotes a Double-Displacement Mechanism for the Adenine Excision Reaction by Adenine DNA GlycosylaseWenwen Diao, James D Farrell, Binju Wang, 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.
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