530 related articles for article (PubMed ID: 27997210)
21. Effective force coarse-graining.
Wang Y; Noid WG; Liu P; Voth GA
Phys Chem Chem Phys; 2009 Mar; 11(12):2002-15. PubMed ID: 19280011
[TBL] [Abstract][Full Text] [Related]
22. Molecular dynamics simulations of polyglutamine aggregation using solvent-free multiscale coarse-grained models.
Wang Y; Voth GA
J Phys Chem B; 2010 Jul; 114(26):8735-43. PubMed ID: 20550147
[TBL] [Abstract][Full Text] [Related]
23. Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials.
Wang YL; Lyubartsev A; Lu ZY; Laaksonen A
Phys Chem Chem Phys; 2013 May; 15(20):7701-12. PubMed ID: 23595102
[TBL] [Abstract][Full Text] [Related]
24. 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]
25. Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel.
Shi Q; Izvekov S; Voth GA
J Phys Chem B; 2006 Aug; 110(31):15045-8. PubMed ID: 16884212
[TBL] [Abstract][Full Text] [Related]
26. 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]
27. Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.
Frembgen-Kesner T; Andrews CT; Li S; Ngo NA; Shubert SA; Jain A; Olayiwola OJ; Weishaar MR; Elcock AH
J Chem Theory Comput; 2015 May; 11(5):2341-54. PubMed ID: 26574429
[TBL] [Abstract][Full Text] [Related]
28. The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials.
Larini L; Lu L; Voth GA
J Chem Phys; 2010 Apr; 132(16):164107. PubMed ID: 20441258
[TBL] [Abstract][Full Text] [Related]
29. Transferable Coarse-Grained Models for Ionic Liquids.
Wang Y; Feng S; Voth GA
J Chem Theory Comput; 2009 Apr; 5(4):1091-8. PubMed ID: 26609619
[TBL] [Abstract][Full Text] [Related]
30. Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water.
Villa A; Peter C; van der Vegt NF
J Chem Theory Comput; 2010 Aug; 6(8):2434-44. PubMed ID: 26613497
[TBL] [Abstract][Full Text] [Related]
31. Benchmarking Hybrid Atomistic/Coarse-Grained Schemes for Proteins with an Atomistic Water Layer.
Renevey A; Riniker S
J Phys Chem B; 2019 Apr; 123(14):3033-3042. PubMed ID: 30916957
[TBL] [Abstract][Full Text] [Related]
32. Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions.
Ganguly P; Mukherji D; Junghans C; van der Vegt NF
J Chem Theory Comput; 2012 May; 8(5):1802-7. PubMed ID: 26593671
[TBL] [Abstract][Full Text] [Related]
33. Exploration of transferability in multiscale coarse-grained peptide models.
Thorpe IF; Goldenberg DP; Voth GA
J Phys Chem B; 2011 Oct; 115(41):11911-26. PubMed ID: 21905717
[TBL] [Abstract][Full Text] [Related]
34. 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]
35. 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]
36. Fitting coarse-grained distribution functions through an iterative force-matching method.
Lu L; Dama JF; Voth GA
J Chem Phys; 2013 Sep; 139(12):121906. PubMed ID: 24089718
[TBL] [Abstract][Full Text] [Related]
37. Transferable and Polarizable Coarse Grained Model for Proteins─ProMPT.
Sahoo A; Lee PY; Matysiak S
J Chem Theory Comput; 2022 Aug; 18(8):5046-5055. PubMed ID: 35793442
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. Adaptive resolution simulations of biomolecular systems.
Zavadlav J; Bevc S; Praprotnik M
Eur Biophys J; 2017 Dec; 46(8):821-835. PubMed ID: 28905203
[TBL] [Abstract][Full Text] [Related]
40. Coarse-Grained Model Incorporating Short- and Long-Range Effective Potentials for the Fast Simulation of Micelle Formation in Solutions of Ionic Surfactants.
Peroukidis SD; Stott IP; Mavrantzas VG
J Phys Chem B; 2022 Jul; 126(29):5555-5569. PubMed ID: 35838193
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]