Levy RM - Search Results

1

Levy RM. Levy RM. Protein Sci. 2016 Jan;25(1):9-11. doi: 10.1002/pro.2844. Epub 2015 Dec 9. Protein Sci. 2016. PMID: 26575588 Free PMC article. No abstract available.

2

How long does it take to equilibrate the unfolded state of a protein?

Levy RM, Dai W, Deng NJ, Makarov DE. Levy RM, et al. Protein Sci. 2013 Nov;22(11):1459-65. doi: 10.1002/pro.2335. Epub 2013 Sep 17. Protein Sci. 2013. PMID: 23963761 Free PMC article.

3

Structural propensities of kinase family proteins from a Potts model of residue co-variation.

Haldane A, Flynn WF, He P, Vijayan RS, Levy RM. Haldane A, et al. Among authors: levy rm. Protein Sci. 2016 Aug;25(8):1378-84. doi: 10.1002/pro.2954. Epub 2016 Jun 26. Protein Sci. 2016. PMID: 27241634 Free PMC article.

4

Allosteric HIV-1 integrase inhibitors promote aberrant protein multimerization by directly mediating inter-subunit interactions: Structural and thermodynamic modeling studies.

Deng N, Hoyte A, Mansour YE, Mohamed MS, Fuchs JR, Engelman AN, Kvaratskhelia M, Levy R. Deng N, et al. Protein Sci. 2016 Nov;25(11):1911-1917. doi: 10.1002/pro.2997. Epub 2016 Aug 17. Protein Sci. 2016. PMID: 27503276 Free PMC article.

5

Computational design of small molecular modulators of protein-protein interactions with a novel thermodynamic cycle: Allosteric inhibitors of HIV-1 integrase.

Sun Q, Ramaswamy VSK, Levy R, Deng N. Sun Q, et al. Protein Sci. 2021 Feb;30(2):438-447. doi: 10.1002/pro.4004. Epub 2020 Dec 5. Protein Sci. 2021. PMID: 33244804 Free PMC article.

6

Recent theoretical and computational advances for modeling protein-ligand binding affinities.

Gallicchio E, Levy RM. Gallicchio E, et al. Among authors: levy rm. Adv Protein Chem Struct Biol. 2011;85:27-80. doi: 10.1016/B978-0-12-386485-7.00002-8. Adv Protein Chem Struct Biol. 2011. PMID: 21920321 Free PMC article. Review.

7

Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV protease.

Deng N, Forli S, He P, Perryman A, Wickstrom L, Vijayan RS, Tiefenbrunn T, Stout D, Gallicchio E, Olson AJ, Levy RM. Deng N, et al. Among authors: levy rm. J Phys Chem B. 2015 Jan 22;119(3):976-88. doi: 10.1021/jp506376z. Epub 2014 Sep 17. J Phys Chem B. 2015. PMID: 25189630 Free PMC article.

8

Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis.

Xia J, Flynn WF, Gallicchio E, Zhang BW, He P, Tan Z, Levy RM. Xia J, et al. Among authors: levy rm. J Comput Chem. 2015 Sep 5;36(23):1772-85. doi: 10.1002/jcc.23996. Epub 2015 Jul 7. J Comput Chem. 2015. PMID: 26149645 Free PMC article.

9

Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

Deng N, Zhang BW, Levy RM. Deng N, et al. Among authors: levy rm. J Chem Theory Comput. 2015 Jun 9;11(6):2868-78. doi: 10.1021/acs.jctc.5b00264. J Chem Theory Comput. 2015. PMID: 26236174 Free PMC article.

10

First Passage Times, Lifetimes, and Relaxation Times of Unfolded Proteins.

Dai W, Sengupta AM, Levy RM. Dai W, et al. Among authors: levy rm. Phys Rev Lett. 2015 Jul 24;115(4):048101. doi: 10.1103/PhysRevLett.115.048101. Epub 2015 Jul 21. Phys Rev Lett. 2015. PMID: 26252709 Free PMC article.

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