265 related articles for article (PubMed ID: 28201893)
1. Protein simulation using coarse-grained two-bead multipole force field with polarizable water models.
Li M; Zhang JZ
J Chem Phys; 2017 Feb; 146(6):065101. PubMed ID: 28201893
[TBL] [Abstract][Full Text] [Related]
2. Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins.
Li M; Zhang JZ
Phys Chem Chem Phys; 2017 Mar; 19(10):7410-7419. PubMed ID: 28244513
[TBL] [Abstract][Full Text] [Related]
3. TMFF-A Two-Bead Multipole Force Field for Coarse-Grained Molecular Dynamics Simulation of Protein.
Li M; Liu F; Zhang JZ
J Chem Theory Comput; 2016 Dec; 12(12):6147-6156. PubMed ID: 27782390
[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. A generic force field for protein coarse-grained molecular dynamics simulation.
Gu J; Bai F; Li H; Wang X
Int J Mol Sci; 2012 Nov; 13(11):14451-69. PubMed ID: 23203075
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations.
Riniker S; van Gunsteren WF
J Chem Phys; 2011 Feb; 134(8):084110. PubMed ID: 21361530
[TBL] [Abstract][Full Text] [Related]
8. Direct folding simulation of helical proteins using an effective polarizable bond force field.
Duan L; Zhu T; Ji C; Zhang Q; Zhang JZH
Phys Chem Chem Phys; 2017 Jun; 19(23):15273-15284. PubMed ID: 28569909
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Polarizable water model for the coarse-grained MARTINI force field.
Yesylevskyy SO; Schäfer LV; Sengupta D; Marrink SJ
PLoS Comput Biol; 2010 Jun; 6(6):e1000810. PubMed ID: 20548957
[TBL] [Abstract][Full Text] [Related]
11. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.
Hu Y; Sinha SK; Patel S
J Phys Chem B; 2014 Oct; 118(41):11973-92. PubMed ID: 25290376
[TBL] [Abstract][Full Text] [Related]
12. A new coarse-grained model for water: the importance of electrostatic interactions.
Wu Z; Cui Q; Yethiraj A
J Phys Chem B; 2010 Aug; 114(32):10524-9. PubMed ID: 20701383
[TBL] [Abstract][Full Text] [Related]
13. Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water.
Yan XC; Tirado-Rives J; Jorgensen WL
J Phys Chem B; 2016 Aug; 120(33):8102-14. PubMed ID: 26901452
[TBL] [Abstract][Full Text] [Related]
14. Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems.
Sokkar P; Boulanger E; Thiel W; Sanchez-Garcia E
J Chem Theory Comput; 2015 Apr; 11(4):1809-18. PubMed ID: 26574388
[TBL] [Abstract][Full Text] [Related]
15. Adaptive resolution simulation of polarizable supramolecular coarse-grained water models.
Zavadlav J; Melo MN; Marrink SJ; Praprotnik M
J Chem Phys; 2015 Jun; 142(24):244118. PubMed ID: 26133421
[TBL] [Abstract][Full Text] [Related]
16. Necessity of high-resolution for coarse-grained modeling of flexible proteins.
Jia Z; Chen J
J Comput Chem; 2016 Jul; 37(18):1725-33. PubMed ID: 27130454
[TBL] [Abstract][Full Text] [Related]
17. Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.
Shen L; Yang W
J Chem Theory Comput; 2016 Apr; 12(4):2017-27. PubMed ID: 26930454
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Improved prediction of bilayer and monolayer properties using a refined BMW-MARTINI force field.
Miguel V; Perillo MA; Villarreal MA
Biochim Biophys Acta; 2016 Nov; 1858(11):2903-2910. PubMed ID: 27591685
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]