Research Datasets (7)
Research Area
Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers - data - Faulkner C, Santos-Carballal D, Plant DF, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0092362446.
Metal Binding to Amyloid Beta 1-42: A Ligand Field Molecular Dynamics Study - Platts J (2018). Cardiff University. 10.5281/zenodo.1289167.
Molecular Dynamics Simulation of Aluminium Binding to Amyloid-beta and its Effect on Peptide Structure - Platts JA (2019). Cardiff University. 10.5281/zenodo.2605360.
Molecular Dynamics Simulations of Copper Binding to Amyloid-Beta Glu22 Mutants - Mutter ST, Turner M, Deeth RJ, Platts JA (2019). Cardiff University. 10.1016/j.heliyon.2019.e03071.
Predicting the membrane permeability of fentanyl and its analogues by molecular dynamics simulations - data - Faulkner C, de Leeuw NH (2021). Cardiff University. 10.17035/d.2021.0132083584.
Quantum Chemical Molecular Dynamics and Metadynamics Simulation of Aluminium Binding to Amyloid-Beta and Related Peptides - data - Platts J (2019). Cardiff University. 10.1098/rsos.191562.
Raw datasets associated with the publication Active Site Loop Engineering Abolishes Water Capture in Hydroxylating Sesquiterpene Synthases - Srivastava Prabhakar L, Johns Sam T, Walters Rebecca, Miller David James, Van der Kamp Marc W, Allemann Rudolf Konrad (2023). Cardiff University. 10.17035/d.2023.0291278347.