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Items: 39

1.

Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair.

Robinson AC, Schlessman JL, García-Moreno E B.

J Phys Chem B. 2018 Mar 8;122(9):2516-2524. doi: 10.1021/acs.jpcb.7b12121. Epub 2018 Feb 21.

PMID:
29466010
2.

Anomalous Properties of Lys Residues Buried in the Hydrophobic Interior of a Protein Revealed with 15N-Detect NMR Spectroscopy.

Kougentakis CM, Grasso EM, Robinson AC, Caro JA, Schlessman JL, Majumdar A, García-Moreno E B.

J Phys Chem Lett. 2018 Jan 18;9(2):383-387. doi: 10.1021/acs.jpclett.7b02668. Epub 2018 Jan 9.

PMID:
29266956
3.

Local Backbone Flexibility as a Determinant of the Apparent pKa Values of Buried Ionizable Groups in Proteins.

Peck MT, Ortega G, De Luca-Johnson JN, Schlessman JL, Robinson AC, García-Moreno E B.

Biochemistry. 2017 Oct 10;56(40):5338-5346. doi: 10.1021/acs.biochem.7b00678. Epub 2017 Sep 27.

PMID:
28952715
4.

Charges in Hydrophobic Environments: A Strategy for Identifying Alternative States in Proteins.

Robinson AC, Majumdar A, Schlessman JL, García-Moreno E B.

Biochemistry. 2017 Jan 10;56(1):212-218. doi: 10.1021/acs.biochem.6b00843. Epub 2016 Dec 23.

PMID:
28009501
5.

Conformational Reorganization Coupled to the Ionization of Internal Lys Residues in Proteins.

Richman DE, Majumdar A, García-Moreno E B.

Biochemistry. 2015 Sep 29;54(38):5888-97. doi: 10.1021/acs.biochem.5b00522. Epub 2015 Sep 16.

PMID:
26335188
6.

Evolutionarily Conserved Pattern of Interactions in a Protein Revealed by Local Thermal Expansion Properties.

Dellarole M, Caro JA, Roche J, Fossat M, Barthe P, García-Moreno E B, Royer CA, Roumestand C.

J Am Chem Soc. 2015 Jul 29;137(29):9354-62. doi: 10.1021/jacs.5b04320. Epub 2015 Jul 16.

PMID:
26135981
7.

pH dependence of conformational fluctuations of the protein backbone.

Richman DE, Majumdar A, García-Moreno E B.

Proteins. 2014 Nov;82(11):3132-43. doi: 10.1002/prot.24673. Epub 2014 Sep 4.

PMID:
25137073
8.

Structural and thermodynamic consequences of burial of an artificial ion pair in the hydrophobic interior of a protein.

Robinson AC, Castañeda CA, Schlessman JL, García-Moreno EB.

Proc Natl Acad Sci U S A. 2014 Aug 12;111(32):11685-90. doi: 10.1073/pnas.1402900111. Epub 2014 Jul 29.

9.

Protein dielectric constants determined from NMR chemical shift perturbations.

Kukic P, Farrell D, McIntosh LP, García-Moreno E B, Jensen KS, Toleikis Z, Teilum K, Nielsen JE.

J Am Chem Soc. 2013 Nov 13;135(45):16968-76. doi: 10.1021/ja406995j. Epub 2013 Oct 31.

10.

Probing the physical determinants of thermal expansion of folded proteins.

Dellarole M, Kobayashi K, Rouget JB, Caro JA, Roche J, Islam MM, Garcia-Moreno E B, Kuroda Y, Royer CA.

J Phys Chem B. 2013 Oct 24;117(42):12742-9. doi: 10.1021/jp401113p. Epub 2013 May 21.

PMID:
23646824
11.

The high dielectric constant of staphylococcal nuclease is encoded in its structural architecture.

Goh GB, García-Moreno E B, Brooks CL 3rd.

J Am Chem Soc. 2011 Dec 21;133(50):20072-5. doi: 10.1021/ja2084866. Epub 2011 Nov 23.

12.

Structural plasticity of staphylococcal nuclease probed by perturbation with pressure and pH.

Kitahara R, Hata K, Maeno A, Akasaka K, Chimenti MS, Garcia-Moreno E B, Schroer MA, Jeworrek C, Tolan M, Winter R, Roche J, Roumestand C, Montet de Guillen K, Royer CA.

Proteins. 2011 Apr;79(4):1293-305. doi: 10.1002/prot.22966. Epub 2011 Jan 20.

13.

Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a protein.

Chimenti MS, Castañeda CA, Majumdar A, García-Moreno E B.

J Mol Biol. 2011 Jan 14;405(2):361-77. doi: 10.1016/j.jmb.2010.10.001. Epub 2010 Nov 6.

14.

Charges in the hydrophobic interior of proteins.

Isom DG, Castañeda CA, Cannon BR, Velu PD, García-Moreno E B.

Proc Natl Acad Sci U S A. 2010 Sep 14;107(37):16096-100. doi: 10.1073/pnas.1004213107. Epub 2010 Aug 26.

15.

Self-guided Langevin dynamics study of regulatory interactions in NtrC.

Damjanović A, García-Moreno E B, Brooks BR.

Proteins. 2009 Sep;76(4):1007-19. doi: 10.1002/prot.22439.

16.

The pK(a) values of acidic and basic residues buried at the same internal location in a protein are governed by different factors.

Harms MJ, Castañeda CA, Schlessman JL, Sue GR, Isom DG, Cannon BR, García-Moreno E B.

J Mol Biol. 2009 May 29;389(1):34-47. doi: 10.1016/j.jmb.2009.03.039. Epub 2009 Mar 24.

17.

Open science grid study of the coupling between conformation and water content in the interior of a protein.

Damjanović A, Miller BT, Wenaus TJ, Maksimović P, García-Moreno E B, Brooks BR.

J Chem Inf Model. 2008 Oct;48(10):2021-9. doi: 10.1021/ci800263c. Epub 2008 Oct 4.

PMID:
18834189
18.

Backbone relaxation coupled to the ionization of internal groups in proteins: a self-guided Langevin dynamics study.

Damjanović A, Wu X, García-Moreno E B, Brooks BR.

Biophys J. 2008 Nov 1;95(9):4091-101. doi: 10.1529/biophysj.108.130906. Epub 2008 Jul 18.

19.

Structure-based pKa calculations using continuum electrostatics methods.

Fitch CA, García-Moreno E B.

Curr Protoc Bioinformatics. 2007 Jan;Chapter 8:Unit 8.11. doi: 10.1002/0471250953.bi0811s16.

PMID:
18428794
20.

Electrostatic effects in unfolded staphylococcal nuclease.

Fitzkee NC, García-Moreno E B.

Protein Sci. 2008 Feb;17(2):216-27. doi: 10.1110/ps.073081708.

21.

Crystallographic study of hydration of an internal cavity in engineered proteins with buried polar or ionizable groups.

Schlessman JL, Abe C, Gittis A, Karp DA, Dolan MA, García-Moreno E B.

Biophys J. 2008 Apr 15;94(8):3208-16. doi: 10.1529/biophysj.107.122473. Epub 2008 Jan 4.

22.

Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins.

Damjanović A, Schlessman JL, Fitch CA, García AE, García-Moreno E B.

Biophys J. 2007 Oct 15;93(8):2791-804. Epub 2007 Jun 29.

23.

High apparent dielectric constant inside a protein reflects structural reorganization coupled to the ionization of an internal Asp.

Karp DA, Gittis AG, Stahley MR, Fitch CA, Stites WE, García-Moreno E B.

Biophys J. 2007 Mar 15;92(6):2041-53. Epub 2006 Dec 15.

24.

A statistical thermodynamic model of the protein ensemble.

Hilser VJ, García-Moreno E B, Oas TG, Kapp G, Whitten ST.

Chem Rev. 2006 May;106(5):1545-58. Review. No abstract available.

PMID:
16683744
25.
26.

Local conformational fluctuations can modulate the coupling between proton binding and global structural transitions in proteins.

Whitten ST, García-Moreno E B, Hilser VJ.

Proc Natl Acad Sci U S A. 2005 Mar 22;102(12):4282-7. Epub 2005 Mar 14.

27.

Stabilization of internal charges in a protein: water penetration or conformational change?

Denisov VP, Schlessman JL, García-Moreno E B, Halle B.

Biophys J. 2004 Dec;87(6):3982-94. Epub 2004 Sep 17.

28.

Structural interpretation of pH and salt-dependent processes in proteins with computational methods.

García-Moreno E B, Fitch CA.

Methods Enzymol. 2004;380:20-51. No abstract available.

PMID:
15051331
29.

Changes in stability upon charge reversal and neutralization substitution in staphylococcal nuclease are dominated by favorable electrostatic effects.

Schwehm JM, Fitch CA, Dang BN, García-Moreno E B, Stites WE.

Biochemistry. 2003 Feb 4;42(4):1118-28.

PMID:
12549934
30.

The role of hydrophobic microenvironments in modulating pKa shifts in proteins.

Mehler EL, Fuxreiter M, Simon I, Garcia-Moreno EB.

Proteins. 2002 Aug 1;48(2):283-92.

PMID:
12112696
31.

Human monoclonal antibody stability and activity at vaginal pH.

Castle PE, Karp DA, Zeitlin L, García-Moreno E B, Moench TR, Whaley KJ, Cone RA.

J Reprod Immunol. 2002 Jul-Aug;56(1-2):61-76.

PMID:
12106884
32.

Experimental pK(a) values of buried residues: analysis with continuum methods and role of water penetration.

Fitch CA, Karp DA, Lee KK, Stites WE, Lattman EE, García-Moreno E B.

Biophys J. 2002 Jun;82(6):3289-304.

33.

Electrostatic effects in highly charged proteins: salt sensitivity of pKa values of histidines in staphylococcal nuclease.

Lee KK, Fitch CA, Lecomte JT, García-Moreno E B.

Biochemistry. 2002 Apr 30;41(17):5656-67.

PMID:
11969427
34.

Salt-induced stabilization of apoflavodoxin at neutral pH is mediated through cation-specific effects.

Maldonado S, Irún MP, Campos LA, Rubio JA, Luquita A, Lostao A, Wang R, García-Moreno E B, Sancho J.

Protein Sci. 2002 May;11(5):1260-73.

35.

Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein.

Lee KK, Fitch CA, García-Moreno E B.

Protein Sci. 2002 May;11(5):1004-16.

36.

The origin of pH-dependent changes in m-values for the denaturant-induced unfolding of proteins.

Whitten ST, Wooll JO, Razeghifard R, García-Moreno E B, Hilser VJ.

J Mol Biol. 2001 Jun 22;309(5):1165-75.

PMID:
11399086
37.
38.

Salt effects on ionization equilibria of histidines in myoglobin.

Kao YH, Fitch CA, Bhattacharya S, Sarkisian CJ, Lecomte JT, García-Moreno E B.

Biophys J. 2000 Sep;79(3):1637-54.

39.

High apparent dielectric constants in the interior of a protein reflect water penetration.

Dwyer JJ, Gittis AG, Karp DA, Lattman EE, Spencer DS, Stites WE, García-Moreno E B.

Biophys J. 2000 Sep;79(3):1610-20.

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