García AE - Search Results

1

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

Chen AA, García AE. Chen AA, et al. Among authors: garcia ae. Proc Natl Acad Sci U S A. 2013 Oct 15;110(42):16820-5. doi: 10.1073/pnas.1309392110. Epub 2013 Sep 16. Proc Natl Acad Sci U S A. 2013. PMID: 24043821 Free PMC article. Review.

2

Simulations of the pressure and temperature unfolding of an alpha-helical peptide.

Paschek D, Gnanakaran S, Garcia AE. Paschek D, et al. Among authors: garcia ae. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6765-70. doi: 10.1073/pnas.0408527102. Epub 2005 Mar 30. Proc Natl Acad Sci U S A. 2005. PMID: 15800045 Free PMC article.

3

Molecular dynamics simulations of protein folding.

Garcia AE. Garcia AE. Methods Mol Biol. 2008;413:315-30. doi: 10.1007/978-1-59745-574-9_12. Methods Mol Biol. 2008. PMID: 18075171

4

Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes.

Herce HD, Garcia AE. Herce HD, et al. Among authors: garcia ae. Proc Natl Acad Sci U S A. 2007 Dec 26;104(52):20805-10. doi: 10.1073/pnas.0706574105. Epub 2007 Dec 18. Proc Natl Acad Sci U S A. 2007. PMID: 18093956 Free PMC article.

5

Simulation of the pressure and temperature folding/unfolding equilibrium of a small RNA hairpin.

Garcia AE, Paschek D. Garcia AE, et al. J Am Chem Soc. 2008 Jan 23;130(3):815-7. doi: 10.1021/ja074191i. Epub 2007 Dec 23. J Am Chem Soc. 2008. PMID: 18154332

6

Studying pressure denaturation of a protein by molecular dynamics simulations.

Sarupria S, Ghosh T, García AE, Garde S. Sarupria S, et al. Among authors: garcia ae. Proteins. 2010 May 15;78(7):1641-51. doi: 10.1002/prot.22680. Proteins. 2010. PMID: 20146357

7

The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations.

Sgourakis NG, Garcia AE. Sgourakis NG, et al. Among authors: garcia ae. J Mol Biol. 2010 Apr 23;398(1):161-73. doi: 10.1016/j.jmb.2010.02.032. Epub 2010 Feb 23. J Mol Biol. 2010. PMID: 20184892

8

Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage miniprotein.

Day R, Paschek D, Garcia AE. Day R, et al. Among authors: garcia ae. Proteins. 2010 Jun;78(8):1889-99. doi: 10.1002/prot.22702. Proteins. 2010. PMID: 20408169 Free PMC article.

9

Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study.

Zhuang W, Sgourakis NG, Li Z, Garcia AE, Mukamel S. Zhuang W, et al. Among authors: garcia ae. Proc Natl Acad Sci U S A. 2010 Sep 7;107(36):15687-92. doi: 10.1073/pnas.1002131107. Epub 2010 Aug 23. Proc Natl Acad Sci U S A. 2010. PMID: 20798063 Free PMC article.

10

Atomic-level characterization of the ensemble of the Aβ(1-42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms.

Sgourakis NG, Merced-Serrano M, Boutsidis C, Drineas P, Du Z, Wang C, Garcia AE. Sgourakis NG, et al. Among authors: garcia ae. J Mol Biol. 2011 Jan 14;405(2):570-83. doi: 10.1016/j.jmb.2010.10.015. Epub 2010 Nov 5. J Mol Biol. 2011. PMID: 21056574 Free PMC article.

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