These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
3. Developing a Transferable Coarse-Grained Model for the Prediction of Thermodynamic, Structural, and Mechanical Properties of Polyimides at Different Thermodynamic State Points. Hu C; Lu T; Guo H J Chem Inf Model; 2019 May; 59(5):2009-2025. PubMed ID: 30920827 [TBL] [Abstract][Full Text] [Related]
4. Temperature-Transferable Coarse-Grained Models for Volumetric Properties of Poly(lactic Acid). Wu C J Phys Chem B; 2024 Jan; 128(1):358-370. PubMed ID: 38153413 [TBL] [Abstract][Full Text] [Related]
5. 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]
6. Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect. Xiao Q; Guo H Phys Chem Chem Phys; 2016 Nov; 18(43):29808-29824. PubMed ID: 27757454 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. 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]
10. 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]
11. Structural Coarse-Graining via Multiobjective Optimization with Differentiable Simulation. Wu Z; Zhou T J Chem Theory Comput; 2024 Mar; 20(6):2605-2617. PubMed ID: 38483262 [TBL] [Abstract][Full Text] [Related]
13. Comparison of Friction Parametrization from Dynamics and Material Properties for a Coarse-Grained Polymer Melt. Johnson LC; Phelan FR J Phys Chem B; 2023 Aug; 127(31):7054-7069. PubMed ID: 37523783 [TBL] [Abstract][Full Text] [Related]
14. 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]
15. 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]
16. 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]
17. Development of a coarse-grained molecular dynamics model for poly(dimethyl- Xian W; Maiti A; Saab AP; Li Y Soft Matter; 2024 Oct; 20(42):8480-8492. PubMed ID: 39405083 [TBL] [Abstract][Full Text] [Related]
18. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide). Abbott LJ; Stevens MJ J Chem Phys; 2015 Dec; 143(24):244901. PubMed ID: 26723705 [TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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] [Next] [New Search]