Shell MS - Search Results

1

Hydrophobicity in Intrinsically Disordered Protein Force Fields: Implications for Conformational Ensembles and Protein-Protein Interactions.

Lobo S, Najafi S, Shell MS, Shea JE. Lobo S, et al. Among authors: shell ms. J Phys Chem B. 2025 Jul 10;129(27):6817-6827. doi: 10.1021/acs.jpcb.5c02360. Epub 2025 Jun 26. J Phys Chem B. 2025. PMID: 40569578 Free PMC article.

2

Is long travel distance a barrier to surgical cancer care in the United States? A systematic review.

Herb J, Shell M, Carlson R, Stitzenberg K. Herb J, et al. Am J Surg. 2021 Aug;222(2):305-310. doi: 10.1016/j.amjsurg.2020.12.005. Epub 2020 Dec 7. Am J Surg. 2021. PMID: 33309254

3

A test on peptide stability of AMBER force fields with implicit solvation.

Shell MS, Ritterson R, Dill KA. Shell MS, et al. J Phys Chem B. 2008 Jun 5;112(22):6878-86. doi: 10.1021/jp800282x. Epub 2008 May 10. J Phys Chem B. 2008. PMID: 18471007 Free PMC article.

4

Can peptide folding simulations provide predictive information for aggregation propensity?

Lin EI, Shell MS. Lin EI, et al. Among authors: shell ms. J Phys Chem B. 2010 Sep 16;114(36):11899-908. doi: 10.1021/jp104114n. J Phys Chem B. 2010. PMID: 20731401

5

A new multiscale algorithm and its application to coarse-grained peptide models for self-assembly.

Carmichael SP, Shell MS. Carmichael SP, et al. Among authors: shell ms. J Phys Chem B. 2012 Jul 26;116(29):8383-93. doi: 10.1021/jp2114994. Epub 2012 Feb 22. J Phys Chem B. 2012. PMID: 22300263

6

Molecular insights into diphenylalanine nanotube assembly: all-atom simulations of oligomerization.

Jeon J, Mills CE, Shell MS. Jeon J, et al. Among authors: shell ms. J Phys Chem B. 2013 Apr 18;117(15):3935-43. doi: 10.1021/jp308280d. Epub 2013 Apr 9. J Phys Chem B. 2013. PMID: 23521630

7

Self-assembly of cyclo-diphenylalanine peptides in vacuum.

Jeon J, Shell MS. Jeon J, et al. Among authors: shell ms. J Phys Chem B. 2014 Jun 19;118(24):6644-52. doi: 10.1021/jp501503x. Epub 2014 Jun 10. J Phys Chem B. 2014. PMID: 24877752

8

Can Simple Interaction Models Explain Sequence-Dependent Effects in Peptide Homodimerization?

Smith DJ, Shell MS. Smith DJ, et al. Among authors: shell ms. J Phys Chem B. 2017 Jun 22;121(24):5928-5943. doi: 10.1021/acs.jpcb.7b03186. Epub 2017 Jun 9. J Phys Chem B. 2017. PMID: 28537734

9

Transferable Coarse-Grained Models of Liquid-Liquid Equilibrium Using Local Density Potentials Optimized with the Relative Entropy.

Sanyal T, Shell MS. Sanyal T, et al. Among authors: shell ms. J Phys Chem B. 2018 May 31;122(21):5678-5693. doi: 10.1021/acs.jpcb.7b12446. Epub 2018 Mar 2. J Phys Chem B. 2018. PMID: 29466859

10

Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous Mixtures.

Robinson Brown DC, Webber TR, Jiao S, Rivera Mirabal DM, Han S, Shell MS. Robinson Brown DC, et al. Among authors: shell ms. J Phys Chem B. 2023 May 25;127(20):4577-4594. doi: 10.1021/acs.jpcb.3c00826. Epub 2023 May 12. J Phys Chem B. 2023. PMID: 37171393

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