Jane R Allison

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Renwick CJ DobsonProfessor of Chemical Biology, School of Biological Sciences, University of CanterburyVerified email at canterbury.ac.nz
Sereina RinikerETH ZurichVerified email at ethz.ch
Michele VendruscoloProfessor of Biophysics, University of CambridgeVerified email at cam.ac.uk
Thomas PiggotUniversity of Southampton and DstlVerified email at soton.ac.uk
Chris OostenbrinkUniversity of Natural Resources and Life Sciences, ViennaVerified email at boku.ac.at
Thomas A. CollierPostdoctoral Research Fellow, Massey UniversityVerified email at massey.ac.nz
Rachel A NorthUniversity of Sydney, Sydney, AustraliaVerified email at sydney.edu.au
Bruno A. C. HortaProfessor do Instituto de Química, Universidade Federal do Rio de JaneiroVerified email at iq.ufrj.br
Christopher DobsonUniversity of CambridgeVerified email at cam.ac.uk
Anthony M PooleSchool of Biological Sciences, University of Auckland, New ZealandVerified email at auckland.ac.nz
James S. DaviesThe Victor Chang Cardiac Research InstituteVerified email at victorchang.edu.au
Michael CurriePostdoctoral Research Fellow, Harvard Medical SchoolVerified email at hms.harvard.edu
Rosmarie FriemannResearcher, Sahlgrenska University Hospital, University of GothenburgVerified email at gu.se
Margaret Anne BrimbleSchool of Biological Sciences, School of Chemical Sciences, the University of Auckland,Verified email at auckland.ac.nz
Peter D MaceProfessor, University of Otago, New ZealandVerified email at otago.ac.nz
Joshua D. WrightScalia Law School at George Mason UniversityVerified email at gmu.edu
Peter VarnaiTechnopolis GroupVerified email at technopolis-group.com
Cesare IndiveriUniversità della CalabriaVerified email at unical.it
Mariafrancesca ScaliseVerified email at unical.it
Ramaswamy SubramanianDepartment of Biological Sciences and Department of Biomedical Engineering, Purdue UniversityVerified email at purdue.edu

Jane R Allison

Associate Professor, School of Biological Sciences, University of Auckland

Verified email at auckland.ac.nz - Homepage

biomolecular simulation proteins molecular dynamics


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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	290	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	231	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	214	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	143	2017
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	121	2012
Molecular dynamics simulation of proteins TA Collier, TJ Piggot, JR Allison Protein Nanotechnology: Protocols, Instrumentation, and Applications, 311-327, 2020	88	2020
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	71	2014
Computational methods for exploring protein conformations JR Allison Biochemical Society Transactions 48 (4), 1707-1724, 2020	63	2020
Molecular Dynamics Simulation of β-Lactoglobulin at Different Oil/Water Interfaces D Zare, JR Allison, KM McGrath Biomacromolecules 17 (5), 1572-1581, 2016	60	2016
Peppy: A virtual reality environment for exploring the principles of polypeptide structure DG Doak, GS Denyer, JA Gerrard, JP Mackay, JR Allison Protein Science 29 (1), 157-168, 2020	51	2020
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	47	2011
Using simulation to interpret experimental data in terms of protein conformational ensembles JR Allison Current Opinion in Structural Biology 43, 79-87, 2017	43	2017
Molecular Dynamics Simulation of the Interaction of Two Linear Battacin Analogs with Model Gram-Positive and Gram-Negative Bacterial Cell Membranes A Chakraborty, E Kobzev, J Chan, GH de Zoysa, V Sarojini, TJ Piggot, ... ACS Omega, 2020	42	2020
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	38	2014
Selective nutrient transport in bacteria: multicomponent transporter systems reign supreme JS Davies, MJ Currie, J Wright, MC Newton-Vesty, RA North, PD Mace, ... Frontiers in Molecular Biosciences 8, 578, 2021	36	2021
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	36	2013
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	35	2011
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	32	2012
A method to explore protein side chain conformational variability using experimental data JR Allison, WF van Gunsteren ChemPhysChem 10 (18), 3213-3228, 2009	32	2009
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	31	2016

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