Jane R Allison
Jane R Allison
Associate Professor, School of Biological Sciences, University of Auckland
Bestätigte E-Mail-Adresse bei auckland.ac.nz - Startseite
Zitiert von
Zitiert von
On developing coarse-grained models for biomolecular simulation: a review
S Riniker, JR Allison, WF van Gunsteren
Physical Chemistry Chemical Physics 14 (36), 12423-12430, 2012
Determination of the free energy landscape of α-synuclein using spin label nuclear magnetic resonance measurements
JR Allison, P Varnai, CM Dobson, M Vendruscolo
Journal of the American Chemical Society 131 (51), 18314-18326, 2009
GROMOS++ software for the analysis of biomolecular simulation trajectories
AP Eichenberger, JR Allison, J Dolenc, DP Geerke, BAC Horta, K Meier, ...
Journal of Chemical Theory and Computation 7 (10), 3379-3390, 2011
New functionalities in the GROMOS biomolecular simulation software
APE Kunz, JR Allison, DP Geerke, BAC Horta, PH Hünenberger, ...
Journal of Computational Chemistry 33 (3), 340, 2012
A relationship between the transient structure in the monomeric state and the aggregation propensities of α-synuclein and β-synuclein
JR Allison, RC Rivers, JC Christodoulou, M Vendruscolo, CM Dobson
Biochemistry 53 (46), 7170-7183, 2014
Biomolecular structure refinement using the GROMOS simulation software
N Schmid, JR Allison, J Dolenc, AP Eichenberger, AP Kunz, ...
Journal of Biomolecular NMR 51 (3), 265-281, 2011
On the Calculation of Acyl Chain Order Parameters from Lipid Simulations
TJ Piggot, JR Allison, RB Sessions, JW Essex
Journal of chemical theory and computation 13 (11), 5683-5696, 2017
Current computer modeling cannot explain why two highly similar sequences fold into different structures
JR Allison, M Bergeler, N Hansen, WF van Gunsteren
Biochemistry 50 (50), 10965-10973, 2011
Chromosome conformation maps in fission yeast reveal cell cycle dependent sub nuclear structure
RS Grand, T Pichugina, LR Gehlen, MB Jones, P Tsai, JR Allison, ...
Nucleic Acids Research 42 (20), 12585-12599, 2014
Directed evolution of a model primordial enzyme provides insights into the development of the genetic code
MM Müller, JR Allison, N Hongdilokkul, L Gaillon, P Kast, ...
PLoS genetics 9 (1), e1003187, 2013
A method to explore protein side chain conformational variability using experimental data
JR Allison, WF van Gunsteren
ChemPhysChem 10 (18), 3213-3228, 2009
Using simulation to interpret experimental data in terms of protein conformational ensembles
JR Allison
Current Opinion in Structural Biology 43, 79-87, 2017
Molecular Dynamics Simulation of β-Lactoglobulin at Different Oil/Water Interfaces
D Zare, JR Allison, KM McGrath
Biomacromolecules 17 (5), 1572-1581, 2016
On the calculation of 3 J αβ-coupling constants for side chains in proteins
D Steiner, JR Allison, AP Eichenberger, WF van Gunsteren
Journal of biomolecular NMR 53 (3), 223-246, 2012
Deriving structural information from experimentally measured data on biomolecules
WF van Gunsteren, JR Allison, X Daura, J Dolenc, N Hansen, AE Mark, ...
Angewandte Chemie International Edition 55 (52), 15990-16010, 2016
Implicit solvation parameters derived from explicit water forces in large-scale molecular dynamics simulations
J Kleinjung, WRP Scott, JR Allison, WF van Gunsteren, F Fraternali
Journal of chemical theory and computation 8 (7), 2391-2403, 2012
A refined, efficient mean solvation force model that includes the interior volume contribution
JR Allison, K Boguslawski, F Fraternali, WF van Gunsteren
The Journal of Physical Chemistry B 115 (15), 4547-4557, 2011
Investigation of stability and disulfide bond shuffling of lipid transfer proteins by molecular dynamics simulation
JR Allison, GP Moll, WF van Gunsteren
Biochemistry 49 (32), 6916-6927, 2010
A diffusion model for the coordination of DNA replication in Schizosaccharomyces pombe
T Pichugina, T Sugawara, A Kaykov, W Schierding, K Masuda, J Uewaki, ...
Scientific Reports, 2016
Coarse-grained models for the solvents dimethyl sulfoxide, chloroform, and methanol
JR Allison, S Riniker, WF van Gunsteren
Journal of Chemical Physics 136 (5), 54505, 2012
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