Shell MS - Search Results

1

Smoothing protein energy landscapes by integrating folding models with structure prediction.

Pritchard-Bell A, Shell MS. Pritchard-Bell A, et al. Among authors: shell ms. Biophys J. 2011 Nov 2;101(9):2251-9. doi: 10.1016/j.bpj.2011.09.036. Epub 2011 Nov 1. Biophys J. 2011. PMID: 22067165 Free PMC article.

2

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.

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

Blind test of physics-based prediction of protein structures.

Shell MS, Ozkan SB, Voelz V, Wu GA, Dill KA. Shell MS, et al. Biophys J. 2009 Feb;96(3):917-24. doi: 10.1016/j.bpj.2008.11.009. Biophys J. 2009. PMID: 19186130 Free PMC article.

5

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

6

Charge effects on the fibril-forming peptide KTVIIE: a two-dimensional replica exchange simulation study.

Jeon J, Shell MS. Jeon J, et al. Among authors: shell ms. Biophys J. 2012 Apr 18;102(8):1952-60. doi: 10.1016/j.bpj.2012.03.019. Biophys J. 2012. PMID: 22768952 Free PMC article.

7

Are AMBER Force Fields and Implicit Solvation Models Additive? A Folding Study with a Balanced Peptide Test Set.

Robinson MK, Monroe JI, Shell MS. Robinson MK, et al. Among authors: shell ms. J Chem Theory Comput. 2016 Nov 8;12(11):5631-5642. doi: 10.1021/acs.jctc.6b00788. Epub 2016 Oct 21. J Chem Theory Comput. 2016. PMID: 27731628

8

Peptide binding landscapes: Specificity and homophilicity across sequence space in a lattice model.

Jeon J, Shell MS. Jeon J, et al. Among authors: shell ms. Phys Rev E. 2016 Oct;94(4-1):042405. doi: 10.1103/PhysRevE.94.042405. Epub 2016 Oct 10. Phys Rev E. 2016. PMID: 27841641

9

A hybrid, bottom-up, structurally accurate, Go¯-like coarse-grained protein model.

Sanyal T, Mittal J, Shell MS. Sanyal T, et al. Among authors: shell ms. J Chem Phys. 2019 Jul 28;151(4):044111. doi: 10.1063/1.5108761. J Chem Phys. 2019. PMID: 31370551 Free PMC article.

10

An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules.

Giulini M, Menichetti R, Shell MS, Potestio R. Giulini M, et al. Among authors: shell ms. J Chem Theory Comput. 2020 Nov 10;16(11):6795-6813. doi: 10.1021/acs.jctc.0c00676. Epub 2020 Oct 27. J Chem Theory Comput. 2020. PMID: 33108737 Free PMC article.

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