J
James Alexis Platts
Researcher at Cardiff University
Publications - 241
Citations - 7776
James Alexis Platts is an academic researcher from Cardiff University. The author has contributed to research in topics: Hydrogen bond & Density functional theory. The author has an hindex of 42, co-authored 231 publications receiving 7152 citations. Previous affiliations of James Alexis Platts include University of South Australia & Aarhus University.
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Prediction of Peptide Binding to Major Histocompatibility II Receptors with Molecular Mechanics and Semi-Empirical Quantum Mechanics Methods
TL;DR: This analysis shows that the MM/GBVI method performs particularly well, as does the AMBER94 forcefield with Born solvation model, and can be used as an alternative to sequence based methods in generating binding poses, leading to still better accuracy.
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Accelerated Molecular Dynamics to Explore the Binding of Transition Metals to Amyloid-β.
TL;DR: In this article, the accelerated molecular dynamics (aMD) simulation of amyloid-β (Aβ) peptides of four different lengths (16, 28, 40, and 42 residues) and their complexes were analyzed for each structure from three independent 200 ns aMD simulations, generating 16 aMD trajectories.
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Evaluation of implicit solvent models in molecular dynamics simulation of α-Synuclein
Loizos Savva,James Alexis Platts +1 more
TL;DR: Sarma et al. as discussed by the authors report conventional and accelerated molecular dynamics simulations of α-Synuclein, designed to assess performance of using different starting conformation, solvation environment and force field combination.
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Correction: Experimental and theoretical charge density distribution in Pigment Yellow 101
Jonathan J. Du,Linda Váradi,Jinlong Tan,Yiliang Zhao,Paul W. Groundwater,James Alexis Platts,David E. Hibbs +6 more
TL;DR: A comparison of the experimental and theoretical charge density distribution in Pigment Yellow 101 with real-world experimental data shows clear trends in both the number of particles and the intensity of the charge density.
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Electron Density Analysis of Metal-Metal Bonding in a Ni4 Cluster Featuring Ferromagnetic Exchange.
Sofie Stampe Leiszner,Khetpakorn Chakarawet,Jeffrey R. Long,Eiji Nishibori,Kunihisa Sugimoto,James Alexis Platts,Jacob Overgaard +6 more
TL;DR: In this article , a combined experimental and theoretical study of the nature of the proposed metal-metal bonding in the tetranuclear cluster Ni4(NPtBu3)4, which features four nickel(I) centers engaged in strong ferromagnetic coupling, is presented.