These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
29. The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study. Skarmoutsos I; Dellis D; Samios J J Phys Chem B; 2009 Mar; 113(9):2783-93. PubMed ID: 19708211 [TBL] [Abstract][Full Text] [Related]
30. Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5. Abraham MJ; Gready JE J Comput Chem; 2011 Jul; 32(9):2031-40. PubMed ID: 21469158 [TBL] [Abstract][Full Text] [Related]
31. Lattice summations for spread out particles: applications to neutral and charged systems. Heyes DM; Brańka AC J Chem Phys; 2013 Jan; 138(3):034504. PubMed ID: 23343282 [TBL] [Abstract][Full Text] [Related]
33. The ENUF method-Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application. Yang SC; Li B; Zhu YL; Laaksonen A; Wang YL J Comput Chem; 2020 Oct; 41(27):2316-2335. PubMed ID: 32808686 [TBL] [Abstract][Full Text] [Related]
34. Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations. Sagui C; Pedersen LG; Darden TA J Chem Phys; 2004 Jan; 120(1):73-87. PubMed ID: 15267263 [TBL] [Abstract][Full Text] [Related]
35. Applying electric field to charged and polar particles between metallic plates: extension of the Ewald method. Takae K; Onuki A J Chem Phys; 2013 Sep; 139(12):124108. PubMed ID: 24089751 [TBL] [Abstract][Full Text] [Related]
36. Unification of Ewald and shifted force methods to calculate Coulomb interactions in molecular simulations. Hammonds KD; Heyes DM J Chem Phys; 2024 Jun; 160(24):. PubMed ID: 38912623 [TBL] [Abstract][Full Text] [Related]
37. On mesh-based Ewald methods: optimal parameters for two differentiation schemes. Stern HA; Calkins KG J Chem Phys; 2008 Jun; 128(21):214106. PubMed ID: 18537414 [TBL] [Abstract][Full Text] [Related]
38. Selectivity of the highly preorganized tetradentate ligand 2,9-di(pyrid-2-yl)-1,10-phenanthroline for metal ions in aqueous solution, including lanthanide(III) ions and the uranyl(VI) cation. Carolan AN; Cockrell GM; Williams NJ; Zhang G; VanDerveer DG; Lee HS; Thummel RP; Hancock RD Inorg Chem; 2013 Jan; 52(1):15-27. PubMed ID: 23231454 [TBL] [Abstract][Full Text] [Related]
39. Simulations of Coulomb systems with slab geometry using an efficient 3D Ewald summation method. dos Santos AP; Girotto M; Levin Y J Chem Phys; 2016 Apr; 144(14):144103. PubMed ID: 27083704 [TBL] [Abstract][Full Text] [Related]
40. Performance evaluation of the zero-multipole summation method in modern molecular dynamics software. Sakuraba S; Fukuda I J Comput Chem; 2018 Jul; 39(20):1551-1560. PubMed ID: 29727031 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]