A smooth particle mesh Ewald method
By U. Essmann, L. Perera, M. Berkowitz, T. Darden, Hsing-Chou Lee, Lee G. Pedersen. 1995
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Citations in the corpus
- Accelerated Stokesian Dynamics simulations (2001, methodology): “PME algorithms have been successfully applied to the calculation of Coulombic interactions (Darden et al. 1993, 1997; Essmann et al. 1995; Petersen 1995) and recently have been formulated for the case of hydrodynamic interactions by Higdon and coworkers (Guckel 1999); this formulation will be…”
- Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms. (2007, methodology): “This simulation was performed with Amber (4, 5) using standard protocols (6) and the Cornell et al. (parm94) force field (7) and a particle mesh Ewald ( 8 ) treatment of the explicitly solvated truncated octahedral ~200mM NaCl solution.”
- Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions. (2001, methodology): “Thus, one must use methods that more accurately treat the long-range electrostatic interactions, either Ewald-like methods [PME (45) or PPPM (13)] or simpler methods like force shift (20).”