446 related articles for article (PubMed ID: 22149813)
1. 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]
2. Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functions.
Wang Q; Keffer DJ; Nicholson DM; Thomas JB
Phys Rev E Stat Nonlin Soft Matter Phys; 2010 Jun; 81(6 Pt 1):061204. PubMed ID: 20866409
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.
Villa A; Peter C; van der Vegt NF
Phys Chem Chem Phys; 2009 Mar; 11(12):2077-86. PubMed ID: 19280018
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. 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]
10. Inversion of radial distribution functions to pair forces by solving the Yvon-Born-Green equation iteratively.
Cho HM; Chu JW
J Chem Phys; 2009 Oct; 131(13):134107. PubMed ID: 19814543
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. A test of systematic coarse-graining of molecular dynamics simulations: thermodynamic properties.
Fu CC; Kulkarni PM; Shell MS; Leal LG
J Chem Phys; 2012 Oct; 137(16):164106. PubMed ID: 23126694
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation.
Das A; Andersen HC
J Chem Phys; 2009 Jul; 131(3):034102. PubMed ID: 19624176
[TBL] [Abstract][Full Text] [Related]
15. Coarse-grained molecular dynamics simulations of the phase behavior of the 4-cyano-4'-pentylbiphenyl liquid crystal system.
Zhang J; Su J; Ma Y; Guo H
J Phys Chem B; 2012 Feb; 116(7):2075-89. PubMed ID: 22243406
[TBL] [Abstract][Full Text] [Related]
16. The multiscale coarse-graining method. IX. A general method for construction of three body coarse-grained force fields.
Das A; Andersen HC
J Chem Phys; 2012 May; 136(19):194114. PubMed ID: 22612087
[TBL] [Abstract][Full Text] [Related]
17. The multiscale coarse-graining method. VIII. Multiresolution hierarchical basis functions and basis function selection in the construction of coarse-grained force fields.
Das A; Andersen HC
J Chem Phys; 2012 May; 136(19):194113. PubMed ID: 22612086
[TBL] [Abstract][Full Text] [Related]
18. Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously.
Li W; Takada S
J Chem Phys; 2009 Jun; 130(21):214108. PubMed ID: 19508057
[TBL] [Abstract][Full Text] [Related]
19. Effects of Polymer Conjugation on Hybridization Thermodynamics of Oligonucleic Acids.
Ghobadi AF; Jayaraman A
J Phys Chem B; 2016 Sep; 120(36):9788-99. PubMed ID: 27598692
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
