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 | 285 | 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 | 223 | 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 | 208 | 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 | 119 | 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 | 119 | 2012 |
Molecular dynamics simulation of proteins TA Collier, TJ Piggot, JR Allison Protein Nanotechnology: Protocols, Instrumentation, and Applications, 311-327, 2020 | 75 | 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 | 68 | 2014 |
Computational methods for exploring protein conformations JR Allison Biochemical Society Transactions 48 (4), 1707-1724, 2020 | 57 | 2020 |
Molecular Dynamics Simulation of β-Lactoglobulin at Different Oil/Water Interfaces D Zare, JR Allison, KM McGrath Biomacromolecules 17 (5), 1572-1581, 2016 | 57 | 2016 |
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 | 46 | 2011 |
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 | 43 | 2020 |
Using simulation to interpret experimental data in terms of protein conformational ensembles JR Allison Current Opinion in Structural Biology 43, 79-87, 2017 | 40 | 2017 |
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 |
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 | 35 | 2014 |
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 |
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 | 31 | 2020 |
A method to explore protein side chain conformational variability using experimental data JR Allison, WF van Gunsteren ChemPhysChem 10 (18), 3213-3228, 2009 | 31 | 2009 |
The sodium sialic acid symporter from Staphylococcus aureus has altered substrate specificity. R North, W Wahlgren, D Remus, M Scalise, S Kessans, E Dunevall, ... Frontiers in Chemistry 6, 233, 2018 | 30 | 2018 |
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 | 30 | 2012 |
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 | 29 | 2021 |