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Items: 1 to 50 of 202

1.

Methionine 170 is an Environmentally Sensitive Membrane Anchor in the Disordered HVR of K-Ras4B.

Neale C, García AE.

J Phys Chem B. 2018 Nov 8;122(44):10086-10096. doi: 10.1021/acs.jpcb.8b07919. Epub 2018 Oct 24.

PMID:
30351122
2.

Concentration-dependent and configuration-dependent interactions of monovalent ions with an RNA tetraloop.

Miner JC, García AE.

J Chem Phys. 2018 Jun 14;148(22):222837. doi: 10.1063/1.5019939.

PMID:
29907048
3.

High pressure NMR reveals conformational perturbations by disease-causing mutations in amyloid β-peptide.

Rosenman DJ, Clemente N, Ali M, García AE, Wang C.

Chem Commun (Camb). 2018 May 1;54(36):4609-4612. doi: 10.1039/c8cc01674g.

PMID:
29670961
4.

Mechanistic insights into allosteric regulation of the A2A adenosine G protein-coupled receptor by physiological cations.

Ye L, Neale C, Sljoka A, Lyda B, Pichugin D, Tsuchimura N, Larda ST, Pomès R, García AE, Ernst OP, Sunahara RK, Prosser RS.

Nat Commun. 2018 Apr 10;9(1):1372. doi: 10.1038/s41467-018-03314-9.

5.

V67L Mutation Fills an Internal Cavity To Stabilize RecA Mtu Intein.

Zwarycz AS, Fossat M, Akanyeti O, Lin Z, Rosenman DJ, Garcia AE, Royer CA, Mills KV, Wang C.

Biochemistry. 2017 May 30;56(21):2715-2722. doi: 10.1021/acs.biochem.6b01264. Epub 2017 May 18.

PMID:
28488863
6.

Equilibrium Denaturation and Preferential Interactions of an RNA Tetraloop with Urea.

Miner JC, García AE.

J Phys Chem B. 2017 Apr 20;121(15):3734-3746. doi: 10.1021/acs.jpcb.6b10767. Epub 2017 Feb 16.

PMID:
28181434
7.

NMR and Computation Reveal a Pressure-Sensitive Folded Conformation of Trp-Cage.

Kitazawa S, Fossat MJ, McCallum SA, Garcia AE, Royer CA.

J Phys Chem B. 2017 Feb 16;121(6):1258-1267. doi: 10.1021/acs.jpcb.6b11810. Epub 2017 Feb 3.

PMID:
28107009
8.

High-Resolution Mapping of a Repeat Protein Folding Free Energy Landscape.

Fossat MJ, Dao TP, Jenkins K, Dellarole M, Yang Y, McCallum SA, Garcia AE, Barrick D, Roumestand C, Royer CA.

Biophys J. 2016 Dec 6;111(11):2368-2376. doi: 10.1016/j.bpj.2016.08.027.

9.

Jejunal administration of glucose enhances acyl ghrelin suppression in obese humans.

Tamboli RA, Sidani RM, Garcia AE, Antoun J, Isbell JM, Albaugh VL, Abumrad NN.

Am J Physiol Endocrinol Metab. 2016 Jul 1;311(1):E252-9. doi: 10.1152/ajpendo.00082.2016. Epub 2016 Jun 7.

10.

Free-energy landscape of a hyperstable RNA tetraloop.

Miner JC, Chen AA, García AE.

Proc Natl Acad Sci U S A. 2016 Jun 14;113(24):6665-70. doi: 10.1073/pnas.1603154113. Epub 2016 May 27.

11.

Water Determines the Structure and Dynamics of Proteins.

Bellissent-Funel MC, Hassanali A, Havenith M, Henchman R, Pohl P, Sterpone F, van der Spoel D, Xu Y, Garcia AE.

Chem Rev. 2016 Jul 13;116(13):7673-97. doi: 10.1021/acs.chemrev.5b00664. Epub 2016 May 17. Review.

PMID:
27186992
12.

Metabolic shifts toward fatty-acid usage and increased thermogenesis are associated with impaired adipogenesis in mice expressing human APOE4.

Arbones-Mainar JM, Johnson LA, Torres-Perez E, Garcia AE, Perez-Diaz S, Raber J, Maeda N.

Int J Obes (Lond). 2016 Oct;40(10):1574-1581. doi: 10.1038/ijo.2016.93. Epub 2016 May 10.

13.

Retreatment Predictions in Odontology by means of CBR Systems.

Campo L, Aliaga IJ, De Paz JF, García AE, Bajo J, Villarubia G, Corchado JM.

Comput Intell Neurosci. 2016;2016:7485250. doi: 10.1155/2016/7485250. Epub 2016 Jan 14.

14.

Peptide Bond Isomerization in High-Temperature Simulations.

Neale C, Pomès R, García AE.

J Chem Theory Comput. 2016 Apr 12;12(4):1989-99. doi: 10.1021/acs.jctc.5b01022. Epub 2016 Mar 15.

PMID:
26866899
15.

Efficient Schmidt number scaling in dissipative particle dynamics.

Krafnick RC, García AE.

J Chem Phys. 2015 Dec 28;143(24):243106. doi: 10.1063/1.4930921.

16.

Lipoprotein Profiles in Class III Obese Caucasian and African American Women with Nonalcoholic Fatty Liver Disease.

Garcia AE, Kasim N, Tamboli RA, Gonzalez RS, Antoun J, Eckert EA, Marks-Shulman PA, Dunn J, Wattacheril J, Wallen T, Abumrad NN, Flynn CR.

PLoS One. 2015 Nov 23;10(11):e0142676. doi: 10.1371/journal.pone.0142676. eCollection 2015.

17.

Characterization of Aβ Monomers through the Convergence of Ensemble Properties among Simulations with Multiple Force Fields.

Rosenman DJ, Wang C, García AE.

J Phys Chem B. 2016 Jan 21;120(2):259-77. doi: 10.1021/acs.jpcb.5b09379. Epub 2015 Dec 9.

PMID:
26562747
18.

Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor?

Neale C, Herce HD, Pomès R, García AE.

Biophys J. 2015 Oct 20;109(8):1652-62. doi: 10.1016/j.bpj.2015.08.028.

19.

Alterations of Nonconserved Residues Affect Protein Stability and Folding Dynamics through Charge-Charge Interactions.

Tripathi S, Garcìa AE, Makhatadze GI.

J Phys Chem B. 2015 Oct 15;119(41):13103-12. doi: 10.1021/acs.jpcb.5b08527. Epub 2015 Oct 2.

PMID:
26413861
20.

Penetration of HIV-1 Tat47-57 into PC/PE Bilayers Assessed by MD Simulation and X-ray Scattering.

Neale C, Huang K, García AE, Tristram-Nagle S.

Membranes (Basel). 2015 Sep 22;5(3):473-94. doi: 10.3390/membranes5030473.

21.

Charged Termini on the Trp-Cage Roughen the Folding Energy Landscape.

English CA, García AE.

J Phys Chem B. 2015 Jun 25;119(25):7874-81. doi: 10.1021/acs.jpcb.5b02040. Epub 2015 Jun 9.

PMID:
26018669
22.

Modelling the longevity of dental restorations by means of a CBR system.

Aliaga IJ, Vera V, De Paz JF, García AE, Mohamad MS.

Biomed Res Int. 2015;2015:540306. doi: 10.1155/2015/540306. Epub 2015 Mar 19. Review.

23.

Impact of hydrodynamics on effective interactions in suspensions of active and passive matter.

Krafnick RC, García AE.

Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Feb;91(2):022308. Epub 2015 Feb 19.

PMID:
25768506
24.

Multisite ion model in concentrated solutions of divalent cations (MgCl2 and CaCl2): osmotic pressure calculations.

Saxena A, García AE.

J Phys Chem B. 2015 Jan 8;119(1):219-27. doi: 10.1021/jp507008x. Epub 2014 Dec 22.

25.

Fundamental molecular mechanism for the cellular uptake of guanidinium-rich molecules.

Herce HD, Garcia AE, Cardoso MC.

J Am Chem Soc. 2014 Dec 17;136(50):17459-67. doi: 10.1021/ja507790z. Epub 2014 Dec 1.

26.

Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering.

Huang K, García AE.

J Chem Theory Comput. 2014 Oct 14;10(10):4264-4272. Epub 2014 Sep 12.

27.

Effects of truncating van der Waals interactions in lipid bilayer simulations.

Huang K, García AE.

J Chem Phys. 2014 Sep 14;141(10):105101. doi: 10.1063/1.4893965.

28.

HIV-1 Tat membrane interactions probed using X-ray and neutron scattering, CD spectroscopy and MD simulations.

Akabori K, Huang K, Treece BW, Jablin MS, Maranville B, Woll A, Nagle JF, Garcia AE, Tristram-Nagle S.

Biochim Biophys Acta. 2014 Dec;1838(12):3078-87. doi: 10.1016/j.bbamem.2014.08.014. Epub 2014 Aug 19.

29.

Equilibrium thermodynamics and folding kinetics of a short, fast-folding, beta-hairpin.

Jimenez-Cruz CA, Garcia AE.

Phys Chem Chem Phys. 2014 Apr 14;16(14):6422-9. doi: 10.1039/c3cp54336f. Epub 2014 Jan 29.

PMID:
24472872
30.

Folding and unfolding thermodynamics of the TC10b Trp-cage miniprotein.

English CA, García AE.

Phys Chem Chem Phys. 2014 Feb 21;16(7):2748-57. doi: 10.1039/c3cp54339k. Epub 2014 Jan 3.

PMID:
24448113
31.

High-resolution reversible folding of hyperstable RNA tetraloops using molecular dynamics simulations.

Chen AA, García AE.

Proc Natl Acad Sci U S A. 2013 Oct 15;110(42):16820-5. doi: 10.1073/pnas.1309392110. Epub 2013 Sep 16. Review.

32.

Effect of internal cavities on folding rates and routes revealed by real-time pressure-jump NMR spectroscopy.

Roche J, Dellarole M, Caro JA, Norberto DR, Garcia AE, Garcia-Moreno B, Roumestand C, Royer CA.

J Am Chem Soc. 2013 Oct 2;135(39):14610-8. doi: 10.1021/ja406682e. Epub 2013 Sep 18.

PMID:
23987660
33.

Reconstructing the Most Probable Folding Transition Path from Replica Exchange Molecular Dynamics Simulations.

Jimenez-Cruz CA, Garcia AE.

J Chem Theory Comput. 2013 Aug 13;9(8):3750-5. doi: 10.1021/ct400170x. Epub 2013 Jul 25.

PMID:
26584126
34.

Erosive arthritis and hepatic granuloma formation induced by peptidoglycan polysaccharide in rats is aggravated by prasugrel treatment.

Garcia AE, Rico MC, Liverani E, DeLa Cadena RA, Bray PF, Kunapuli SP.

PLoS One. 2013 Jul 4;8(7):e69093. doi: 10.1371/journal.pone.0069093. Print 2013.

35.

The influence of "quiet time" for patients in critical care.

Maidl CA, Leske JS, Garcia AE.

Clin Nurs Res. 2014 Oct;23(5):544-59. doi: 10.1177/1054773813493000. Epub 2013 Jul 10.

PMID:
23847172
36.

Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approach.

Rosenman DJ, Connors CR, Chen W, Wang C, García AE.

J Mol Biol. 2013 Sep 23;425(18):3338-59. doi: 10.1016/j.jmb.2013.06.021. Epub 2013 Jun 25.

37.

Please, get in my way so that I can be more efficient!

Garcia AE.

Biophys J. 2013 May 7;104(9):1842-3. doi: 10.1016/j.bpj.2013.03.042. No abstract available.

38.

The essential role of stacking adenines in a two-base-pair RNA kissing complex.

Stephenson W, Asare-Okai PN, Chen AA, Keller S, Santiago R, Tenenbaum SA, Garcia AE, Fabris D, Li PT.

J Am Chem Soc. 2013 Apr 17;135(15):5602-11. doi: 10.1021/ja310820h. Epub 2013 Apr 8.

39.

Protein conformational space populated in solution probed with aromatic residual dipolar (13) C-(1) H couplings.

Sathyamoorthy B, Singarapu KK, Garcia AE, Szyperski T.

Chembiochem. 2013 Apr 15;14(6):684-8. doi: 10.1002/cbic.201300016. Epub 2013 Mar 12.

PMID:
23494854
40.

Free energy of translocating an arginine-rich cell-penetrating peptide across a lipid bilayer suggests pore formation.

Huang K, García AE.

Biophys J. 2013 Jan 22;104(2):412-20. doi: 10.1016/j.bpj.2012.10.027.

41.

Cosolvent effects on protein stability.

Canchi DR, García AE.

Annu Rev Phys Chem. 2013;64:273-93. doi: 10.1146/annurev-physchem-040412-110156. Epub 2013 Jan 4. Review.

PMID:
23298246
42.

Backtracking due to residual structure in the unfolded state changes the folding of the third fibronectin type III domain from tenascin-C.

Tripathi S, Makhatadze GI, Garcia AE.

J Phys Chem B. 2013 Jan 24;117(3):800-10. doi: 10.1021/jp310046k. Epub 2013 Jan 10.

PMID:
23268597
43.

Structural, energetic, and dynamic responses of the native state ensemble of staphylococcal nuclease to cavity-creating mutations.

Roche J, Caro JA, Dellarole M, Guca E, Royer CA, García-Moreno BE, Garcia AE, Roumestand C.

Proteins. 2013 Jun;81(6):1069-80. doi: 10.1002/prot.24231. Epub 2013 Apr 27.

PMID:
23239146
44.

Remodeling of the folding free energy landscape of staphylococcal nuclease by cavity-creating mutations.

Roche J, Dellarole M, Caro JA, Guca E, Norberto DR, Yang Y, Garcia AE, Roumestand C, García-Moreno B, Royer CA.

Biochemistry. 2012 Nov 27;51(47):9535-46. doi: 10.1021/bi301071z. Epub 2012 Nov 13.

PMID:
23116341
45.

Prasugrel metabolites inhibit neutrophil functions.

Liverani E, Rico MC, Garcia AE, Kilpatrick LE, Kunapuli SP.

J Pharmacol Exp Ther. 2013 Jan;344(1):231-43. doi: 10.1124/jpet.112.195883. Epub 2012 Oct 24.

46.

Molecular mechanism for the preferential exclusion of TMAO from protein surfaces.

Canchi DR, Jayasimha P, Rau DC, Makhatadze GI, Garcia AE.

J Phys Chem B. 2012 Oct 11;116(40):12095-104. doi: 10.1021/jp304298c. Epub 2012 Oct 1.

47.

Challenges in conducting research after family presence during resuscitation.

Leske JS, McAndrew NS, Evans CR, Garcia AE, Brasel KJ.

J Trauma Nurs. 2012 Jul-Sep;19(3):190-4. doi: 10.1097/JTN.0b013e318261d041.

PMID:
22955717
48.

Patient variables which may predict length of stay and hospital costs in elderly patients with hip fracture.

Garcia AE, Bonnaig JV, Yoneda ZT, Richards JE, Ehrenfeld JM, Obremskey WT, Jahangir AA, Sethi MK.

J Orthop Trauma. 2012 Nov;26(11):620-3. doi: 10.1097/BOT.0b013e3182695416.

PMID:
22832431
49.

Mechanism of enhanced mechanical stability of a minimal RNA kissing complex elucidated by nonequilibrium molecular dynamics simulations.

Chen AA, García AE.

Proc Natl Acad Sci U S A. 2012 Jun 12;109(24):E1530-9. doi: 10.1073/pnas.1119552109. Epub 2012 May 23.

50.

Mirror images as naturally competing conformations in protein folding.

Noel JK, Schug A, Verma A, Wenzel W, Garcia AE, Onuchic JN.

J Phys Chem B. 2012 Jun 14;116(23):6880-8. doi: 10.1021/jp212623d. Epub 2012 Apr 26.

PMID:
22497217

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