102 related articles for article (PubMed ID: 16689591)
1. Coarse-grained interaction potentials for anisotropic molecules.
Babadi M; Everaers R; Ejtehadi MR
J Chem Phys; 2006 May; 124(17):174708. PubMed ID: 16689591
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Smart resolution replica exchange: an efficient algorithm for exploring complex energy landscapes.
Liu P; Voth GA
J Chem Phys; 2007 Jan; 126(4):045106. PubMed ID: 17286516
[TBL] [Abstract][Full Text] [Related]
4. Parametrization of the Gay-Berne potential for conjugated oligomer with a high aspect ratio.
Lee CK; Hua CC; Chen SA
J Chem Phys; 2010 Aug; 133(6):064902. PubMed ID: 20707586
[TBL] [Abstract][Full Text] [Related]
5. Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesis.
Buchete NV; Straub JE; Thirumalai D
J Mol Graph Model; 2004 May; 22(5):441-50. PubMed ID: 15099839
[TBL] [Abstract][Full Text] [Related]
6. Generalized coarse-grained model based on point multipole and Gay-Berne potentials.
Golubkov PA; Ren P
J Chem Phys; 2006 Aug; 125(6):64103. PubMed ID: 16942269
[TBL] [Abstract][Full Text] [Related]
7. The directional contact distance of two ellipsoids: coarse-grained potentials for anisotropic interactions.
Paramonov L; Yaliraki SN
J Chem Phys; 2005 Nov; 123(19):194111. PubMed ID: 16321080
[TBL] [Abstract][Full Text] [Related]
8. Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution.
Chan ER; Striolo A; McCabe C; Cummings PT; Glotzer SC
J Chem Phys; 2007 Sep; 127(11):114102. PubMed ID: 17887823
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. A molecular dynamics simulation study of buckyballs in water: atomistic versus coarse-grained models of C60.
Choudhury N
J Chem Phys; 2006 Jul; 125(3):34502. PubMed ID: 16863357
[TBL] [Abstract][Full Text] [Related]
11. Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.
DeVane R; Klein ML; Chiu CC; Nielsen SO; Shinoda W; Moore PB
J Phys Chem B; 2010 May; 114(19):6386-93. PubMed ID: 20426449
[TBL] [Abstract][Full Text] [Related]
12. An Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials.
Shen H; Li Y; Ren P; Zhang D; Li G
J Chem Theory Comput; 2014 Feb; 10(2):731-750. PubMed ID: 24659927
[TBL] [Abstract][Full Text] [Related]
13. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
Murarka RK; Liwo A; Scheraga HA
J Chem Phys; 2007 Oct; 127(15):155103. PubMed ID: 17949219
[TBL] [Abstract][Full Text] [Related]
14. Coarse-grained ions without charges: reproducing the solvation structure of NaCl in water using short-ranged potentials.
DeMille RC; Molinero V
J Chem Phys; 2009 Jul; 131(3):034107. PubMed ID: 19624181
[TBL] [Abstract][Full Text] [Related]
15. Assessing atomistic and coarse-grained force fields for protein-lipid interactions: the formidable challenge of an ionizable side chain in a membrane.
Vorobyov I; Li L; Allen TW
J Phys Chem B; 2008 Aug; 112(32):9588-602. PubMed ID: 18636764
[TBL] [Abstract][Full Text] [Related]
16. Coarse-grained simulation of amphiphilic self-assembly.
Michel DJ; Cleaver DJ
J Chem Phys; 2007 Jan; 126(3):034506. PubMed ID: 17249883
[TBL] [Abstract][Full Text] [Related]
17. Molecular dynamics simulation study on the phase behavior of the Gay-Berne model with a terminal dipole and a flexible tail.
Fukunaga H; Takimoto J; Doi M
J Chem Phys; 2004 Apr; 120(16):7792-800. PubMed ID: 15267694
[TBL] [Abstract][Full Text] [Related]
18. Coarse graining using pretabulated potentials: liquid benzene.
Zacharopoulos N; Vergadou N; Theodorou DN
J Chem Phys; 2005 Jun; 122(24):244111. PubMed ID: 16035750
[TBL] [Abstract][Full Text] [Related]
19. An automatic coarse-graining and fine-graining simulation method: application on polyethylene.
Chen LJ; Qian HJ; Lu ZY; Li ZS; Sun CC
J Phys Chem B; 2006 Nov; 110(47):24093-100. PubMed ID: 17125381
[TBL] [Abstract][Full Text] [Related]
20. The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials.
Izvekov S; Chung PW; Rice BM
J Chem Phys; 2010 Aug; 133(6):064109. PubMed ID: 20707563
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]