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List of works by Jane R. Allison

A comparison of the different helices adopted by α- and β-peptides suggests different reasons for their stability.

scientific article

A diffusion model for the coordination of DNA replication in Schizosaccharomyces pombe

scientific article

A method to explore protein side chain conformational variability using experimental data

scientific article

A refined, efficient mean solvation force model that includes the interior volume contribution

scientific article

A relationship between the transient structure in the monomeric state and the aggregation propensities of α-synuclein and β-synuclein

scientific article

Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.

scientific article

Bestimmung von Strukturinformation aus experimentellen Messdaten für Biomoleküle

article

Biomolecular structure refinement using the GROMOS simulation software

scientific article published on 20 August 2011

Characterisation of N-(Octadecyl)-1,8-naphthalimide Monolayer Compression Using Molecular Dynamics and Experimental Approaches

scientific article published on 21 January 2019

Chromosome conformation maps in fission yeast reveal cell cycle dependent sub nuclear structure.

scientific article

Coarse-grained models for the solvents dimethyl sulfoxide, chloroform, and methanol

scientific article

Computational Prediction of Amino Acids Governing Protein-Membrane Interaction for the PIP3 Cell Signaling System

scientific article published on 06 December 2018

Current computer modeling cannot explain why two highly similar sequences fold into different structures

scientific article

Deciphering β-Lactoglobulin Interactions at an Oil-Water Interface: A Molecular Dynamics Study

scientific article published on 26 May 2015

Deriving Structural Information from Experimentally Measured Data on Biomolecules.

scientific article

Determination of the free energy landscape of alpha-synuclein using spin label nuclear magnetic resonance measurements

scientific article

Directed evolution of a model primordial enzyme provides insights into the development of the genetic code

scientific article published in 2013

Fitting alignment tensor components to experimental RDCs, CSAs and RQCs

scientific article published on 5 February 2015

Flexibility of the petunia strigolactone receptor DAD2 promotes its interaction with signaling partners

scientific article published on 17 February 2020

GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

scientific article published on 16 September 2011

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

scientific article

Inhibition of Arabidopsis growth by the allelopathic compound azetidine-2-carboxylate is due to the low amino acid specificity of cytosolic prolyl-tRNA synthetase

scientific article published on 22 June 2016

Investigation of Stability and Disulfide Bond Shuffling of Lipid Transfer Proteins by Molecular Dynamics Simulation

article

Let the Powers Combine

scientific article published in January 2016

Molecular Dynamics Simulation of β-Lactoglobulin at Different Oil/Water Interfaces

scientific article published on 13 April 2016

Molecular dynamics simulations of barley and maize lipid transfer proteins show different ligand binding preferences in agreement with experimental data.

scientific article

Multiple binding modes for palmitate to barley lipid transfer protein facilitated by the presence of proline 12.

scientific article published in January 2013

New functionalities in the GROMOS biomolecular simulation software

scientific article published on 11 November 2011

On developing coarse-grained models for biomolecular simulation: a review

scientific article published on 08 June 2012

On the Calculation of Acyl Chain Order Parameters from Lipid Simulations

scientific article published on 6 September 2017

On the calculation of ³Jαβ-coupling constants for side chains in proteins.

scientific article

Peppy: A virtual reality environment for exploring the principles of polypeptide structure

scientific article published on 11 November 2019

Positive Selection or Free to Vary? Assessing the Functional Significance of Sequence Change Using Molecular Dynamics

scientific article

Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data.

scientific article published on 30 July 2012

Relative free enthalpies for point mutations in two proteins with highly similar sequences but different folds

scientific article

Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter

scientific article published on 27 February 2023

The self-association and thermal denaturation of caprine and bovine β-lactoglobulin.

scientific article published on 16 April 2018

Thermal adaptation in the honeybee (Apis mellifera) via changes to the structure of malate dehydrogenase

scientific article published on 17 July 2020

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