530 related articles for article (PubMed ID: 27997210)
1. Procedure for Transferable Coarse-Grained Models of Aqueous Polysaccharides.
Sauter J; Grafmüller A
J Chem Theory Comput; 2017 Jan; 13(1):223-236. PubMed ID: 27997210
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites.
Rzepiela AJ; Louhivuori M; Peter C; Marrink SJ
Phys Chem Chem Phys; 2011 Jun; 13(22):10437-48. PubMed ID: 21494747
[TBL] [Abstract][Full Text] [Related]
4. Multiscale coarse graining of liquid-state systems.
Izvekov S; Voth GA
J Chem Phys; 2005 Oct; 123(13):134105. PubMed ID: 16223273
[TBL] [Abstract][Full Text] [Related]
5. Transferability of coarse-grained force fields: the polymer case.
Carbone P; Varzaneh HA; Chen X; Müller-Plathe F
J Chem Phys; 2008 Feb; 128(6):064904. PubMed ID: 18282071
[TBL] [Abstract][Full Text] [Related]
6. Multiscale coarse-graining of ionic liquids.
Wang Y; Izvekov S; Yan T; Voth GA
J Phys Chem B; 2006 Mar; 110(8):3564-75. PubMed ID: 16494412
[TBL] [Abstract][Full Text] [Related]
7. Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions.
Shen JW; Li C; van der Vegt NF; Peter C
J Chem Theory Comput; 2011 Jun; 7(6):1916-27. PubMed ID: 26596452
[TBL] [Abstract][Full Text] [Related]
8. A coarse-grained model for polyethylene glycol in bulk water and at a water/air interface.
Prasitnok K; Wilson MR
Phys Chem Chem Phys; 2013 Oct; 15(40):17093-104. PubMed ID: 24005163
[TBL] [Abstract][Full Text] [Related]
9. Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulations.
Wassenaar TA; Ingólfsson HI; Priess M; Marrink SJ; Schäfer LV
J Phys Chem B; 2013 Apr; 117(13):3516-30. PubMed ID: 23406326
[TBL] [Abstract][Full Text] [Related]
10. Multiscale coarse-graining of monosaccharides.
Liu P; Izvekov S; Voth GA
J Phys Chem B; 2007 Oct; 111(39):11566-75. PubMed ID: 17850132
[TBL] [Abstract][Full Text] [Related]
11. Mixed Resolution Modeling of Interactions in Condensed-Phase Systems.
Izvekov S; Voth GA
J Chem Theory Comput; 2009 Dec; 5(12):3232-44. PubMed ID: 26602507
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose.
Markutsya S; Devarajan A; Baluyut JY; Windus TL; Gordon MS; Lamm MH
J Chem Phys; 2013 Jun; 138(21):214108. PubMed ID: 23758359
[TBL] [Abstract][Full Text] [Related]
14. Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model.
Villa A; van der Vegt NF; Peter C
Phys Chem Chem Phys; 2009 Mar; 11(12):2068-76. PubMed ID: 19280017
[TBL] [Abstract][Full Text] [Related]
15. Multiscale simulation of small peptides: consistent conformational sampling in atomistic and coarse-grained models.
Bezkorovaynaya O; Lukyanov A; Kremer K; Peter C
J Comput Chem; 2012 Apr; 33(9):937-49. PubMed ID: 22298285
[TBL] [Abstract][Full Text] [Related]
16. Overcoming the Limitations of the MARTINI Force Field in Simulations of Polysaccharides.
Schmalhorst PS; Deluweit F; Scherrers R; Heisenberg CP; Sikora M
J Chem Theory Comput; 2017 Oct; 13(10):5039-5053. PubMed ID: 28787166
[TBL] [Abstract][Full Text] [Related]
17. A coarse-grained model for polyethylene glycol polymer.
Wang Q; Keffer DJ; Nicholson DM
J Chem Phys; 2011 Dec; 135(21):214903. PubMed ID: 22149813
[TBL] [Abstract][Full Text] [Related]
18. Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.
Renevey A; Riniker S
J Chem Phys; 2017 Mar; 146(12):124131. PubMed ID: 28388132
[TBL] [Abstract][Full Text] [Related]
19. Multiscale Coarse-Graining of Mixed Phospholipid/Cholesterol Bilayers.
Izvekov S; Voth GA
J Chem Theory Comput; 2006 May; 2(3):637-48. PubMed ID: 26626671
[TBL] [Abstract][Full Text] [Related]
20. A multiscale coarse-graining method for biomolecular systems.
Izvekov S; Voth GA
J Phys Chem B; 2005 Feb; 109(7):2469-73. PubMed ID: 16851243
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
