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Asymptotic analysis of quasielastic neutron scattering data from human acetylcholinesterase reveals subtle dynamical changes upon ligand binding

Publié le 03/05/2019

... Saouessi, M., Peters, J., Kneller, G.R. "Asymptotic analysis of quasielastic neutron scattering data from human acetylcholinesterase reveals subtle dynamical changes upon ligand binding" Journal of Chemical Physics., 150(16): art.n° 161104. (2019). ...

Reply to Doster: Franck–Condon and Van Hove formulation of quasielastic neutron scattering from complex systems

Publié le 16/04/2019

... Kneller, G.R. "Reply to Doster: Franck–Condon and Van Hove formulation of quasielastic neutron scattering from complex systems" PNAS., 116(18): 8651-8652. (2019). ...

Memory effects in a random walk description of protein structure ensembles

Publié le 20/02/2019

... Kneller, G.R., Hinsen, K. "Memory effects in a random walk description of protein structure ensembles" Journal of Chemical Physics., 150(6): art.n° 064911 . (2019). ...

Model-free Approach to Quasielastic Neutron Scattering from Anomalously Diffusing Quantum Particles

Publié le 20/09/2018

... Kneller, G.R. "Model-free Approach to Quasielastic Neutron Scattering from Anomalously Diffusing Quantum Particles" Acta Physica Polonica B., 49(5): 893-904. (2018). ...

Franck–Condon picture of incoherent neutron scattering

Publié le 05/09/2018

... Kneller, G.R. "Franck–Condon picture of incoherent neutron scattering" PNAS., 115(38): 9450-9455. (2018). ...

Reusable Versus Re-editable Code

Publié le 04/07/2018

... Hinsen, K. "Reusable Versus Re-editable Code" Computing in Science & Engineering., 20(3): 78-83. (2018). ...

A Dream of Simplicity: Scientific Computing on Turing Machines

Publié le 22/05/2017

... Hinsen, K. "A Dream of Simplicity: Scientific Computing on Turing Machines" Computing in Science & Engineering., 19(3): 78-85. (2017). ...

General framework for constraints in molecular dynamics simulations

Publié le 27/03/2017

... Kneller, G.R. "General framework for constraints in molecular dynamics simulations" Molecular Physics., 115(9-12): 1352-1361. (2017). ...

Commentary: Scientific communication in the digital age

Publié le 07/03/2017

... Hinsen, K. "Commentary: Scientific communication in the digital age" Physics Today., 69(6): 10-11. (2016). ...

Verifiable research: The missing link between replicability and reproducibility