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List of works by Alex Dickson

Binding and folding of the small bacterial chaperone HdeA.

scientific article published on July 2013

Capturing a Dynamic Chaperone-Substrate Interaction Using NMR-Informed Molecular Modeling

scientific article (publication date: 10 August 2016)

Coupled folding and binding with 2D Window-Exchange Umbrella Sampling.

scientific article published on 6 August 2015

Efficient in silico exploration of RNA interhelical conformations using Euler angles and WExplore

scientific article

Enhanced Jarzynski free energy calculations using weighted ensemble

scientific article published on 01 October 2020

Entrainment of a driven oscillator as a dynamical phase transition

scientific article published on 20 December 2011

Flow-Dependent Unfolding and Refolding of an RNA by Nonequilibrium Umbrella Sampling

scientific article published on 23 August 2011

Incorporating friction and collective shear moves into a lattice gas

scientific article published on 11 May 2010

Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review

scientific article published on 14 April 2017

Ligand Release Pathways Obtained with WExplore: Residence Times and Mechanisms

scientific article published on 27 May 2016

Long-Range Changes in Neurolysin Dynamics Upon Inhibitor Binding.

scientific article published on 27 November 2017

Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore

scientific article published in February 2017

Multiscale modeling of a conditionally disordered pH-sensing chaperone.

scientific article

Native states of fast-folding proteins are kinetic traps.

scientific article published on 15 March 2013

Nonequilibrium umbrella sampling in spaces of many order parameters

scientific article published in February 2009

Optimal allosteric stabilization sites using contact stabilization analysis

scientific article published on 24 October 2016

Perturbation of ACE2 Structural Ensembles by SARS-CoV-2 Spike Protein Binding

scientific article published on 12 August 2021

Predicting ligand binding affinity using on- and off-rates for the SAMPL6 SAMPLing challenge

scientific article published on 23 August 2018

Quantifying chaperone-mediated transitions in the proteostasis network of E. coli

scientific article (publication date: 2013)

Quantifying hub-like behavior in protein folding networks.

scientific article published on January 2012

REVO: Resampling of ensembles by variation optimization

scientific article published on 01 June 2019

Separating forward and backward pathways in nonequilibrium umbrella sampling.

scientific article published in October 2009

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

scientific article published on 27 January 2020

Unbiased Molecular Dynamics of 11 min Timescale Drug Unbinding Reveals Transition State Stabilizing Interactions.

scientific article published on 5 January 2018

WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithm.

scientific article

pH-dependent transient conformational states control optical properties in cyan fluorescent protein

scientific article

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