Shell MS - Search Results

1

Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy.

Robinson Brown DC, Webber TR, Casey TM, Franck J, Shell MS, Han S. Robinson Brown DC, et al. Among authors: shell ms. Phys Chem Chem Phys. 2024 May 22;26(20):14637-14650. doi: 10.1039/d4cp00030g. Phys Chem Chem Phys. 2024. PMID: 38742831 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

The protein folding problem.

Dill KA, Ozkan SB, Shell MS, Weikl TR. Dill KA, et al. Among authors: shell ms. Annu Rev Biophys. 2008;37:289-316. doi: 10.1146/annurev.biophys.37.092707.153558. Annu Rev Biophys. 2008. PMID: 18573083 Free PMC article. Review.

4

Test of nonequilibrium thermodynamics in glassy systems: the soft-sphere case.

La Nave E, Sciortino F, Tartaglia P, Shell MS, Debenedetti PG. La Nave E, et al. Among authors: shell ms. Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Sep;68(3 Pt 1):032103. doi: 10.1103/PhysRevE.68.032103. Epub 2003 Sep 23. Phys Rev E Stat Nonlin Soft Matter Phys. 2003. PMID: 14524813

5

Computational characterization of the sequence landscape in simple protein alphabets.

Shell MS, Debenedetti PG, Panagiotopoulos AZ. Shell MS, et al. Proteins. 2006 Jan 1;62(1):232-43. doi: 10.1002/prot.20714. Proteins. 2006. PMID: 16284961

6

The relative entropy is fundamental to multiscale and inverse thermodynamic problems.

Shell MS. Shell MS. J Chem Phys. 2008 Oct 14;129(14):144108. doi: 10.1063/1.2992060. J Chem Phys. 2008. PMID: 19045135

7

Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy.

Chaimovich A, Shell MS. Chaimovich A, et al. Among authors: shell ms. Phys Chem Chem Phys. 2009 Mar 28;11(12):1901-15. doi: 10.1039/b818512c. Epub 2009 Jan 27. Phys Chem Chem Phys. 2009. PMID: 19280001

8

Multiscale modeling with smoothed dissipative particle dynamics.

Kulkarni PM, Fu CC, Shell MS, Leal LG. Kulkarni PM, et al. Among authors: shell ms. J Chem Phys. 2013 Jun 21;138(23):234105. doi: 10.1063/1.4810754. J Chem Phys. 2013. PMID: 23802949

9

A test of systematic coarse-graining of molecular dynamics simulations: Transport properties.

Fu CC, Kulkarni PM, Shell MS, Leal LG. Fu CC, et al. Among authors: shell ms. J Chem Phys. 2013 Sep 7;139(9):094107. doi: 10.1063/1.4819472. J Chem Phys. 2013. PMID: 24028102

10

Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics.

Petsev ND, Leal LG, Shell MS. Petsev ND, et al. Among authors: shell ms. J Chem Phys. 2015 Jan 28;142(4):044101. doi: 10.1063/1.4905720. J Chem Phys. 2015. PMID: 25637963 Free PMC article.

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