| Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. I. Research design and results on d (CpG) steps DL Beveridge, G Barreiro, KS Byun, DA Case, TE Cheatham, SB Dixit, ... Biophysical journal 87 (6), 3799-3813, 2004 | 338 | 2004 |
| Cofilin is a pH sensor for actin free barbed end formation: role of phosphoinositide binding C Frantz, G Barreiro, L Dominguez, X Chen, R Eddy, J Condeelis, ... The Journal of cell biology 183 (5), 865-879, 2008 | 236 | 2008 |
| Structural model and functional significance of pH-dependent talin–actin binding for focal adhesion remodeling J Srivastava, G Barreiro, S Groscurth, AR Gingras, BT Goult, DR Critchley, ... Proceedings of the National Academy of Sciences 105 (38), 14436-14441, 2008 | 172 | 2008 |
| Structural comparison of chromosomal and exogenous dihydrofolate reductase from Staphylococcus aureus in complex with the potent inhibitor trimethoprim H Heaslet, M Harris, K Fahnoe, R Sarver, H Putz, J Chang, ... Proteins: Structure, Function, and Bioinformatics 76 (3), 706-717, 2009 | 163 | 2009 |
| Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring G Barreiro, CRW Guimarães, I Tubert-Brohman, TM Lyons, J Tirado-Rives, ... Journal of chemical information and modeling 47 (6), 2416-2428, 2007 | 108 | 2007 |
| Comparing conformational ensembles using the Kullback–Leibler divergence expansion CL McClendon, L Hua, G Barreiro, MP Jacobson Journal of chemical theory and computation 8 (6), 2115-2126, 2012 | 104 | 2012 |
| Molecular dynamics simulations of DNA curvature and flexibility: helix phasing and premelting DL Beveridge, SB Dixit, G Barreiro, KM Thayer Biopolymers: Original Research on Biomolecules 73 (3), 380-403, 2004 | 88 | 2004 |
| From docking false-positive to active anti-HIV agent G Barreiro, JT Kim, CRW Guimarães, CM Bailey, RA Domaoal, L Wang, ... Journal of medicinal chemistry 50 (22), 5324-5329, 2007 | 86 | 2007 |
| Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug–drug interactions with a novel series of centrally efficacious BACE1 inhibitors MA Brodney, EM Beck, CR Butler, G Barreiro, EF Johnson, D Riddell, ... Journal of medicinal chemistry 58 (7), 3223-3252, 2015 | 84 | 2015 |
| Spirocyclic sulfamides as β-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer’s disease: Utilization of structure based drug design, watermap, and CNS penetration … MA Brodney, G Barreiro, K Ogilvie, E Hajos-Korcsok, J Murray, F Vajdos, ... Journal of medicinal chemistry 55 (21), 9224-9239, 2012 | 75 | 2012 |
| Discovery and Preclinical Characterization of 1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): A Highly Potent … L Zhang, G Balan, G Barreiro, BP Boscoe, LK Chenard, J Cianfrogna, ... Journal of medicinal chemistry 57 (3), 861-877, 2014 | 63 | 2014 |
| Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design CR Butler, MA Brodney, EM Beck, G Barreiro, CE Nolan, F Pan, F Vajdos, ... Journal of medicinal chemistry 58 (6), 2678-2702, 2015 | 56 | 2015 |
| Design and synthesis of clinical candidate PF-06751979: A potent, brain penetrant, β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitor lacking hypopigmentation BT O’Neill, EM Beck, CR Butler, CE Nolan, C Gonzales, L Zhang, ... Journal of Medicinal Chemistry 61 (10), 4476-4504, 2018 | 44 | 2018 |
| Aminomethyl-derived beta secretase (BACE1) inhibitors: engaging Gly230 without an anilide functionality CR Butler, K Ogilvie, L Martinez-Alsina, G Barreiro, EM Beck, CE Nolan, ... Journal of Medicinal Chemistry 60 (1), 386-402, 2017 | 43 | 2017 |
| A molecular dynamics study of an L-type calcium channel model G Barreiro, CRW Guimaraes, RB de Alencastro Protein engineering 15 (2), 109-122, 2002 | 35 | 2002 |
| Oxidative metabolism of a quinoxaline derivative by xanthine oxidase in rodent plasma R Sharma, H Eng, GS Walker, G Barreiro, AF Stepan, KF McClure, ... Chemical Research in Toxicology 24 (12), 2207-2216, 2011 | 30 | 2011 |
| On the application of simple explicit water models to the simulations of biomolecules CRW Guimaraes, G Barreiro, CAF Oliveira, RB Alencastro Brazilian journal of physics 34, 126-136, 2004 | 29 | 2004 |
| Dihedral angle-based sampling of natural product polyketide conformations: Application to permeability prediction Q Wang, S Sciabola, G Barreiro, X Hou, G Bai, MJ Shapiro, F Koehn, ... Journal of Chemical Information and Modeling 56 (11), 2194-2206, 2016 | 15 | 2016 |
| Investigation of the induced‐fit mechanism and catalytic activity of the human cytomegalovirus protease homodimer via molecular dynamics simulations CAF de Oliveira, CRW Guimarães, G Barreiro, RB de Alencastro Proteins: Structure, Function, and Bioinformatics 52 (4), 483-491, 2003 | 15 | 2003 |
| Discovery and Characterization of (R)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one (PF-06462894), an Alkyne-Lacking … AF Stepan, MM Claffey, MR Reese, G Balan, G Barreiro, J Barricklow, ... Journal of Medicinal Chemistry 60 (18), 7764-7780, 2017 | 14 | 2017 |
