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.
128 related articles for article (PubMed ID: 33639741)
1. Iterative integral equation methods for structural coarse-graining. Bernhardt MP; Hanke M; van der Vegt NFA J Chem Phys; 2021 Feb; 154(8):084118. PubMed ID: 33639741 [TBL] [Abstract][Full Text] [Related]
2. Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA. Bernhardt MP; Hanke M; van der Vegt NFA J Chem Theory Comput; 2023 Jan; 19(2):580-95. PubMed ID: 36631066 [TBL] [Abstract][Full Text] [Related]
3. Integral equation theory based direct and accelerated systematic coarse-graining approaches. Mashayak SY; Miao L; Aluru NR J Chem Phys; 2018 Jun; 148(21):214105. PubMed ID: 29884051 [TBL] [Abstract][Full Text] [Related]
9. MagiC: Software Package for Multiscale Modeling. Mirzoev A; Lyubartsev AP J Chem Theory Comput; 2013 Mar; 9(3):1512-20. PubMed ID: 26587613 [TBL] [Abstract][Full Text] [Related]
10. Development of a coarse-grained water forcefield via multistate iterative Boltzmann inversion. Moore TC; Iacovella CR; McCabe C Found Mol Model Simul (2015); 2016; 2016():37-52. PubMed ID: 32483559 [TBL] [Abstract][Full Text] [Related]
11. Fitting coarse-grained distribution functions through an iterative force-matching method. Lu L; Dama JF; Voth GA J Chem Phys; 2013 Sep; 139(12):121906. PubMed ID: 24089718 [TBL] [Abstract][Full Text] [Related]
12. Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials. Wang YL; Lyubartsev A; Lu ZY; Laaksonen A Phys Chem Chem Phys; 2013 May; 15(20):7701-12. PubMed ID: 23595102 [TBL] [Abstract][Full Text] [Related]
13. Comparative atomistic and coarse-grained study of water: what do we lose by coarse-graining? Wang H; Junghans C; Kremer K Eur Phys J E Soft Matter; 2009 Feb; 28(2):221-9. PubMed ID: 19198906 [TBL] [Abstract][Full Text] [Related]
14. Loss of Molecular Roughness upon Coarse-Graining Predicts the Artificially Accelerated Mobility of Coarse-Grained Molecular Simulation Models. Meinel MK; Müller-Plathe F J Chem Theory Comput; 2020 Mar; 16(3):1411-1419. PubMed ID: 31999452 [TBL] [Abstract][Full Text] [Related]
15. A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimization. Li Z; Bian X; Yang X; Karniadakis GE J Chem Phys; 2016 Jul; 145(4):044102. PubMed ID: 27475343 [TBL] [Abstract][Full Text] [Related]