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. Coarse-grained modeling of crystal growth and polymorphism of a model pharmaceutical molecule. Mandal T; Marson RL; Larson RG Soft Matter; 2016 Oct; 12(39):8246-8255. PubMed ID: 27714373 [TBL] [Abstract][Full Text] [Related]
4. Assessing the efficiency of polymeric excipients by atomistic molecular dynamics simulations. Jha PK; Larson RG Mol Pharm; 2014 May; 11(5):1676-86. PubMed ID: 24708235 [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. How to predict diffusion of medium-sized molecules in polymer matrices. From atomistic to coarse grain simulations. Gautieri A; Vesentini S; Redaelli A J Mol Model; 2010 Dec; 16(12):1845-51. PubMed ID: 20224911 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. Transferability of the coarse-grained potentials for trans-1,4-polybutadiene. Gao P; Guo H Phys Chem Chem Phys; 2015 Dec; 17(47):31693-706. PubMed ID: 26554917 [TBL] [Abstract][Full Text] [Related]
9. Atomistic simulation study of surfactant and polymer interactions on the surface of a fenofibrate crystal. Zhu W; Romanski FS; Meng X; Mitra S; Tomassone MS Eur J Pharm Sci; 2011 Apr; 42(5):452-61. PubMed ID: 21291999 [TBL] [Abstract][Full Text] [Related]
10. A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils. Srinivas G; Cheng X; Smith JC J Chem Theory Comput; 2011 Aug; 7(8):2539-48. PubMed ID: 26606627 [TBL] [Abstract][Full Text] [Related]
11. Impact of polymers on crystal growth rate of structurally diverse compounds from aqueous solution. Ilevbare GA; Liu H; Edgar KJ; Taylor LS Mol Pharm; 2013 Jun; 10(6):2381-93. PubMed ID: 23597294 [TBL] [Abstract][Full Text] [Related]
12. Development of Coarse-Grained Models for Polymers by Trajectory Matching. Kempfer K; Devémy J; Dequidt A; Couty M; Malfreyt P ACS Omega; 2019 Mar; 4(3):5955-5967. PubMed ID: 31459746 [TBL] [Abstract][Full Text] [Related]
16. 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]
17. Persistence Length, End-to-End Distance, and Structure of Coarse-Grained Polymers. Salerno KM; Bernstein N J Chem Theory Comput; 2018 Apr; 14(4):2219-2229. PubMed ID: 29529375 [TBL] [Abstract][Full Text] [Related]
18. Transferability of coarse-grained force field for nCB liquid crystal systems. Zhang J; Guo H J Phys Chem B; 2014 May; 118(17):4647-60. PubMed ID: 24712306 [TBL] [Abstract][Full Text] [Related]
19. Toward a Coarse Graining/All Atoms Force Field (CG/AA) from a Multiscale Optimization Method: An Application to the MCM-41 Mesoporous Silicates. Ghoufi A; Morineau D; Lefort R; Malfreyt P J Chem Theory Comput; 2010 Oct; 6(10):3212-22. PubMed ID: 26616783 [TBL] [Abstract][Full Text] [Related]
20. Many-body interactions and coarse-grained simulations of structure of nanoparticle-polymer melt mixtures. Khounlavong L; Pryamitsyn V; Ganesan V J Chem Phys; 2010 Oct; 133(14):144904. PubMed ID: 20950038 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]