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.
2. 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]
4. Coarse-graining errors and numerical optimization using a relative entropy framework. Chaimovich A; Shell MS J Chem Phys; 2011 Mar; 134(9):094112. PubMed ID: 21384955 [TBL] [Abstract][Full Text] [Related]
5. The CUMULUS coarse graining method: transferable potentials for water and solutes. van Hoof B; Markvoort AJ; van Santen RA; Hilbers PA J Phys Chem B; 2011 Aug; 115(33):10001-12. PubMed ID: 21740053 [TBL] [Abstract][Full Text] [Related]
6. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization. Lu J; Qiu Y; Baron R; Molinero V J Chem Theory Comput; 2014 Sep; 10(9):4104-20. PubMed ID: 26588552 [TBL] [Abstract][Full Text] [Related]
8. Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study. Yang D; Wang Q Soft Matter; 2015 Sep; 11(36):7109-18. PubMed ID: 26252719 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Reintroducing explicit solvent to a solvent-free coarse-grained model. Kim SH; Lamm MH Phys Rev E Stat Nonlin Soft Matter Phys; 2011 Aug; 84(2 Pt 2):025701. PubMed ID: 21929055 [TBL] [Abstract][Full Text] [Related]
11. The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials. Lu L; Voth GA J Chem Phys; 2011 Jun; 134(22):224107. PubMed ID: 21682507 [TBL] [Abstract][Full Text] [Related]
12. Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship. Jin J; Schweizer KS; Voth GA J Chem Phys; 2023 Jan; 158(3):034103. PubMed ID: 36681649 [TBL] [Abstract][Full Text] [Related]
13. Adversarial-residual-coarse-graining: Applying machine learning theory to systematic molecular coarse-graining. Durumeric AEP; Voth GA J Chem Phys; 2019 Sep; 151(12):124110. PubMed ID: 31575201 [TBL] [Abstract][Full Text] [Related]
14. Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large Biomolecules. Zhang Y; Cao Z; Zhang JZ; Xia F J Chem Inf Model; 2017 Feb; 57(2):214-222. PubMed ID: 28128949 [TBL] [Abstract][Full Text] [Related]