344 related articles for article (PubMed ID: 29278334)
1. Coarse-Grained Molecular Dynamics Force-Field for Polyacrylamide in Infinite Dilution Derived from Iterative Boltzmann Inversion and MARTINI Force-Field.
Banerjee P; Roy S; Nair N
J Phys Chem B; 2018 Feb; 122(4):1516-1524. PubMed ID: 29278334
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Representability and Transferability of Kirkwood-Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems.
Ganguly P; van der Vegt NF
J Chem Theory Comput; 2013 Dec; 9(12):5247-56. PubMed ID: 26592264
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Coarse-grained bond and angle distributions from atomistic simulations: On the systematic parameterisation of lipid models.
Genheden S
J Mol Graph Model; 2016 Jan; 63():57-64. PubMed ID: 26655333
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. 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]
10. Coarse-Grained Water Model Development for Accurate Dynamics and Structure Prediction.
Markutsya S; Haley A; Gordon MS
ACS Omega; 2022 Jul; 7(29):25898-25904. PubMed ID: 35910114
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Coarse-grained models for aqueous polyethylene glycol solutions.
Choi E; Mondal J; Yethiraj A
J Phys Chem B; 2014 Jan; 118(1):323-9. PubMed ID: 24350686
[TBL] [Abstract][Full Text] [Related]
13. Directly Modifying the Nonbonded Potential Based on the Standard Iterative Boltzmann Inversion Method for Coarse-Grained Force Fields.
Xie Z; Chai D; Wang Y; Tan H
J Phys Chem B; 2016 Nov; 120(45):11834-11844. PubMed ID: 27766876
[TBL] [Abstract][Full Text] [Related]
14. Structure-based coarse-graining for inhomogeneous liquid polymer systems.
Fukuda M; Zhang H; Ishiguro T; Fukuzawa K; Itoh S
J Chem Phys; 2013 Aug; 139(5):054901. PubMed ID: 23927278
[TBL] [Abstract][Full Text] [Related]
15. C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids.
de Oliveira TE; Netz PA; Kremer K; Junghans C; Mukherji D
J Chem Phys; 2016 May; 144(17):174106. PubMed ID: 27155624
[TBL] [Abstract][Full Text] [Related]
16. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.
Genheden S
J Comput Aided Mol Des; 2017 Oct; 31(10):867-876. PubMed ID: 28875361
[TBL] [Abstract][Full Text] [Related]
17. Transferable coarse-grained model for perfluorosulfonic acid polymer membranes.
Kuo AT; Okazaki S; Shinoda W
J Chem Phys; 2017 Sep; 147(9):094904. PubMed ID: 28886657
[TBL] [Abstract][Full Text] [Related]
18. Development of a coarse-grained lipid model, LIME 2.0, for DSPE using multistate iterative Boltzmann inversion and discontinuous molecular dynamics simulations.
Wang KW; Wang Y; Hall CK
Fluid Phase Equilib; 2020 Oct; 521():. PubMed ID: 37982069
[TBL] [Abstract][Full Text] [Related]
19. Coarse-Grained Modeling of Polyethylene Melts: Effect on Dynamics.
Peters BL; Salerno KM; Agrawal A; Perahia D; Grest GS
J Chem Theory Comput; 2017 Jun; 13(6):2890-2896. PubMed ID: 28535348
[TBL] [Abstract][Full Text] [Related]
20. A Solvent-Mediated Coarse-Grained Model of DNA Derived with the Systematic Newton Inversion Method.
Naômé A; Laaksonen A; Vercauteren DP
J Chem Theory Comput; 2014 Aug; 10(8):3541-9. PubMed ID: 26588318
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]