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Dr. Josh Berryman
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| Faculty or Centre | Faculty of Science, Technology and Medicine | ||||
| Department | Department of Physics and Materials Science | ||||
| Postal Address |
Campus Limpertsberg, Université du Luxembourg 162 A, avenue de la Faïencerie L-1511 Luxembourg |
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| Campus Office | BRB 2.02 | ||||
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| Telephone | (+352) 46 66 44 6971 | ||||
Permanent research scientist with full supervision and project management authority (autorisation à diriger des recherches).
Member of the College of Fellows of the Institute for Advanced Studies.
Team leader of Biomolecular Modelling in the Theoretical Chemistry Group.
Coordinator of the COVAMINF international workgroup on covid, amyloid and inflammation.
Occasional contributor to the AMBER international collaboration on biomolecular modelling.
Last updated on: Thursday, 08 December 2022
2022
Quantum machine learning corrects classical forcefields: Stretching DNA base pairs in explicit solvent; ; ;
in Journal of Chemical Physics (2022), 157(6),
AMBER 22 Reference Manual; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;
Book published by University of California (2022)
Neurotoxic amyloidogenic peptides in the proteome of SARS-COV2: potential implications for neurological symptoms in COVID-19; ; ; ; ; ; ; ; ; ;
in Nature Communications (2022), 13
2021
Neurotoxic Amyloidogenic Peptides Identified in the Proteome of SARS-COV2: Potential Implications for Neurological Symptoms in COVID-19; ; ; ; ; ; ; ; ;
E-print/Working paper (2021)
2020
Evolution of Conformation, Nanomechanics, and Infrared Nanospectroscopy of Single Amyloid Fibrils Converting into Microcrystals; ; ; ; ;
in Advanced Science (2020)
First-principles modeling of chemistry in mixed solvents: Where to go from here?; ; ; ;
in Journal of Chemical Physics (2020), 152
2019
Kinetic Control of Parallel versus Antiparallel Amyloid Aggregation via Shape of the Growing Aggregate; ; ; ; ;
in Nature Scientific Reports (2019)
2017
Competition between crystal and fibril formation in molecular mutations of amyloidogenic peptides; ; ; ; ; ; ; ;
in Nature Communications (2017), 8
DNA partitions into triplets under tension in the presence of organic cations, with sequence evolutionary age predicting the stability of the triplet phase; ;
in Quarterly Reviews of Biophysics (2017), 50
2016
The early crystal nucleation process in hard spheres shows synchronised ordering and densification; ; ;
in Journal of Chemical Physics (2016), 145
2015
AMBER 2015; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;
Book published by University of California (2015)
2014
Crystal nucleation mechanism in melts of short polymer chains under quiescent conditions and under shear flow; ;
in Journal of Chemical Physics (2014), (141), 124910
Absolute Free Energies for Biomolecules in Implicit or Explicit Solvent;
in Physics Procedia (2014), 57
Amber 14; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;
Book published by University of California (2014)
The Flexible Rare Event Sampling Harness System (FRESHS); ; ; ;
in Computer Physics Communications (2014)
ILQINS hexapeptide, identified in lysozyme left-handed helical ribbons and nanotubes, forms right-handed helical ribbons and crystals.; ; ; ; ;
in Journal of the American Chemical Society (2014), 136(12), 4732-4739
2012
Free Energies by Thermodynamic Integration Relative to an Exact Solution, Used to Find the Handedness-Switching Salt Concentration for DNA;
in Journal of Chemical Theory and Computation (2012)
2011
Systematic examination of polymorphism in amyloid fibrils by molecular-dynamics simulation.; ;
in Biophysical Journal (2011), 100(9), 2234-2242
2010
A general algorithm for sampling rare events in non-equilibrium and non-stationary systems;
in Journal of Chemical Physics (2010), 133
Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry; ; ; ;
in International Journal of Mass Spectrometry (2010), 298(1-3), 17-23
2009
Thermodynamic Description of Polymorphism in Q- and N-Rich Peptide Aggregates Revealed by Atomistic Simulation; ;
in Biophysical Journal (2009), 97(1), 1-11
Deciphering drift time measurements from travelling wave ion mobility spectrometry-mass spectrometry studies; ; ; ; ; ;
in European Journal of Mass Spectrometry (2009), 15(2), 113-130
2008
Prediction of Twist of Amyloid Fibrils Using Molecular Dynamics; ;
in Proceedings of the NIC Workshop 2008 (2008)
