Barreiro G - Search Results

1

Potential of mean force calculations on an L-type calcium channel model.

Barreiro G, Guimarães CR, de Alencastro RB. Barreiro G, et al. Protein Eng. 2003 Mar;16(3):209-15. doi: 10.1093/proeng/gzg028. Protein Eng. 2003. PMID: 12702801

2

A molecular dynamics study of an L-type calcium channel model.

Barreiro G, Guimarães CR, de Alencastro RB. Barreiro G, et al. Protein Eng. 2002 Feb;15(2):109-22. doi: 10.1093/protein/15.2.109. Protein Eng. 2002. PMID: 11917147

3

Investigation of the induced-fit mechanism and catalytic activity of the human cytomegalovirus protease homodimer via molecular dynamics simulations.

de Oliveira CA, Guimarães CR, Barreiro G, de Alencastro RB. de Oliveira CA, et al. Among authors: barreiro g. Proteins. 2003 Sep 1;52(4):483-91. doi: 10.1002/prot.10403. Proteins. 2003. PMID: 12910449

4

Human Cytomegalovirus Protease: Why is the Dimer Required for Catalytic Activity?

de Oliveira CA, Guimarães CR, Barreiro G, de Alencastro RB. de Oliveira CA, et al. Among authors: barreiro g. J Chem Theory Comput. 2007 Jan;3(1):278-88. doi: 10.1021/ct600175x. J Chem Theory Comput. 2007. PMID: 26627171

5

Molecular dynamics simulations of DNA curvature and flexibility: helix phasing and premelting.

Beveridge DL, Dixit SB, Barreiro G, Thayer KM. Beveridge DL, et al. Among authors: barreiro g. Biopolymers. 2004 Feb 15;73(3):380-403. doi: 10.1002/bip.20019. Biopolymers. 2004. PMID: 14755574 Review.

6

Structural comparison of chromosomal and exogenous dihydrofolate reductase from Staphylococcus aureus in complex with the potent inhibitor trimethoprim.

Heaslet H, Harris M, Fahnoe K, Sarver R, Putz H, Chang J, Subramanyam C, Barreiro G, Miller JR. Heaslet H, et al. Among authors: barreiro g. Proteins. 2009 Aug 15;76(3):706-17. doi: 10.1002/prot.22383. Proteins. 2009. PMID: 19280600

7

Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring.

Barreiro G, Guimarães CR, Tubert-Brohman I, Lyons TM, Tirado-Rives J, Jorgensen WL. Barreiro G, et al. J Chem Inf Model. 2007 Nov-Dec;47(6):2416-28. doi: 10.1021/ci700271z. Epub 2007 Oct 20. J Chem Inf Model. 2007. PMID: 17949071 Free PMC article.

8

Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. I. Research design and results on d(CpG) steps.

Beveridge DL, Barreiro G, Byun KS, Case DA, Cheatham TE 3rd, Dixit SB, Giudice E, Lankas F, Lavery R, Maddocks JH, Osman R, Seibert E, Sklenar H, Stoll G, Thayer KM, Varnai P, Young MA. Beveridge DL, et al. Among authors: barreiro g. Biophys J. 2004 Dec;87(6):3799-813. doi: 10.1529/biophysj.104.045252. Epub 2004 Aug 23. Biophys J. 2004. PMID: 15326025 Free PMC article.

9

From docking false-positive to active anti-HIV agent.

Barreiro G, Kim JT, Guimarães CR, Bailey CM, Domaoal RA, Wang L, Anderson KS, Jorgensen WL. Barreiro G, et al. J Med Chem. 2007 Nov 1;50(22):5324-9. doi: 10.1021/jm070683u. Epub 2007 Oct 6. J Med Chem. 2007. PMID: 17918923 Free PMC article.

10

Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.

Wang Q, Sciabola S, Barreiro G, Hou X, Bai G, Shapiro MJ, Koehn F, Villalobos A, Jacobson MP. Wang Q, et al. Among authors: barreiro g. J Chem Inf Model. 2016 Nov 28;56(11):2194-2206. doi: 10.1021/acs.jcim.6b00237. Epub 2016 Oct 21. J Chem Inf Model. 2016. PMID: 27731994

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