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Complex Energy Landscapes of Self-Assembled Vesicles.
Luan J, Wang D, Zhang S, Miyazaki Y, Shinoda W, Wilson DA. Luan J, et al. Among authors: shinoda w. J Am Chem Soc. 2023 Jul 19;145(28):15496-15506. doi: 10.1021/jacs.3c04285. Epub 2023 Jul 10. J Am Chem Soc. 2023. PMID: 37427769 Free PMC article.
Pragmatic Coarse-Graining of Proteins: Models and Applications.
Borges-Araújo L, Patmanidis I, Singh AP, Santos LHS, Sieradzan AK, Vanni S, Czaplewski C, Pantano S, Shinoda W, Monticelli L, Liwo A, Marrink SJ, Souza PCT. Borges-Araújo L, et al. Among authors: shinoda w. J Chem Theory Comput. 2023 Oct 24;19(20):7112-7135. doi: 10.1021/acs.jctc.3c00733. Epub 2023 Oct 3. J Chem Theory Comput. 2023. PMID: 37788237 Review.
pSPICA Force Field Extended for Proteins and Peptides.
Miyazaki Y, Shinoda W. Miyazaki Y, et al. Among authors: shinoda w. J Chem Inf Model. 2024 Jan 22;64(2):532-542. doi: 10.1021/acs.jcim.3c01611. Epub 2023 Dec 29. J Chem Inf Model. 2024. PMID: 38156656
United-atom acyl chains for CHARMM phospholipids.
Hénin J, Shinoda W, Klein ML. Hénin J, et al. Among authors: shinoda w. J Phys Chem B. 2008 Jun 12;112(23):7008-15. doi: 10.1021/jp800687p. Epub 2008 May 16. J Phys Chem B. 2008. PMID: 18481889 Free PMC article.
Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.
Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO. Chiu CC, et al. Among authors: shinoda w. J Phys Chem B. 2010 May 20;114(19):6394-400. doi: 10.1021/jp9117375. J Phys Chem B. 2010. PMID: 20426450 Free article.
Herein, we derive CG force field parameters for C(60) and SWNTs by using the optimized benzene parameters from part I [DeVane, R.; Chiu, C.-c.; Nielsen, S. O.; Shinoda, W.; Moore, P. B.; Klein, M. L. J. Phys. Chem. B 2010, doi: 10.1021/jp9117369]. ...
Herein, we derive CG force field parameters for C(60) and SWNTs by using the optimized benzene parameters from part I [DeVane, R.; Chiu, C.- …
95 results