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Papers authored by Purisima EO

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A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors.

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Shenoy RT, Chowdhury SF, Kumar S, Joseph L, Purisima EO, and Sivaraman J

Journal of medicinal chemistry 52(20):6335-46, 2009 Oct 22 - Who cited this? | PubMed ID: 19761244 | Fulltext

Structural and Functional Analysis of Campylobacter jejuni PseG: A UDP-SUGAR HYDROLASE FROM THE PSEUDAMINIC ACID BIOSYNTHETIC PATHWAY.

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Rangarajan ES, Proteau A, Cui Q, Logan SM, Potetinova Z, Whitfield D, Purisima EO, Cygler M, Matte A, Sulea T, and Schoenhofen IC

The Journal of biological chemistry 284(31):20989-1000, 2009 Jul 31 - Who cited this? | PubMed ID: 19483088 | Fulltext

Restoring charge asymmetry in continuum electrostatics calculations of hydration free energies.

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Purisima EO and Sulea T

The journal of physical chemistry. B 113(24):8206-9, 2009 Jun 18 - Who cited this? | PubMed ID: 19459599 | Fulltext

Trapping open and closed forms of FitE-A group III periplasmic binding protein.

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Shi R, Proteau A, Wagner J, Cui Q, Purisima EO, Matte A, and Cygler M

Proteins 75(3):598-609, 2009 May 15 - Who cited this? | PubMed ID: 19004000 | Fulltext

Prediction of SAMPL-1 Hydration Free Energies Using a Continuum Electrostatics-Dispersion Model (dagger).

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Sulea T, Wanapun D, Dennis S, and Purisima EO

The journal of physical chemistry. B 113(14):4511-20, 2009 Apr 9 - Who cited this? | PubMed ID: 19267492 | Fulltext

Protein evolution on a human signaling network.

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Cui Q, Purisima EO, and Wang E

BMC systems biology 3:21, 2009 - Who cited this? | PubMed ID: 19226461 | Fulltext

An investigation into CAG repeat length variation and N/C terminal interactions in the T877A mutant androgen receptor found in prostate cancer.

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Southwell J, Chowdhury SF, Gottlieb B, Beitel LK, Lumbroso R, Purisima EO, and Trifiro M

The Journal of steroid biochemistry and molecular biology, 2008 Jun 20 - Who cited this? | PubMed ID: 18619542 | Fulltext

Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.

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Cui Q, Sulea T, Schrag JD, Munger C, Hung MN, Naïm M, Cygler M, and Purisima EO

Journal of molecular biology 379(4):787, 2008 Jun 13 - Who cited this? | PubMed ID: 18479705 | Fulltext

Exploring inhibitor binding at the s' subsites of cathepsin L.

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Chowdhury SF, Joseph L, Kumar S, Tulsidas SR, Bhat S, Ziomek E, Ménard R, Sivaraman J, and Purisima EO

Journal of medicinal chemistry 51(5):1361-8, 2008 Mar 13 - Who cited this? | PubMed ID: 18278855 | Fulltext

Viral cystatin evolution and three-dimensional structure modelling: a case of directional selection acting on a viral protein involved in a host-parasitoid interaction.

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Serbielle C, Chowdhury S, Pichon S, Dupas S, Lesobre J, Purisima EO, Drezen JM, and Huguet E

BMC biology 6:38, 2008 - Who cited this? | PubMed ID: 18783611 | Fulltext

Regulatory network motifs and hotspots of cancer genes in a mammalian cellular signalling network.

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Awan A, Bari H, Yan F, Moksong S, Yang S, Chowdhury S, Cui Q, Yu Z, Purisima EO, and Wang E

IET systems biology 1(5):292-7, 2007 Sep - Who cited this? | PubMed ID: 17907678 | Fulltext

MicroRNA regulation and interspecific variation of gene expression.

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Cui Q, Yu Z, Purisima EO, and Wang E

Trends in genetics : TIG 23(8):372-5, 2007 Aug - Who cited this? | PubMed ID: 17482307 | Fulltext

MicroRNAs preferentially target the genes with high transcriptional regulation complexity.

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Cui Q, Yu Z, Pan Y, Purisima EO, and Wang E

Biochemical and biophysical research communications 352(3):733, 2007 Jan 19 - Who cited this? | PubMed ID: 17141185 | Fulltext

Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.

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Naïm M, Bhat S, Rankin KN, Dennis S, Chowdhury SF, Siddiqi I, Drabik P, Sulea T, Bayly CI, Jakalian A, and Purisima EO

Journal of chemical information and modeling 47(1):122-33, 2007 - Who cited this? | PubMed ID: 17238257 | Fulltext

A map of human cancer signaling.

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Cui Q, Ma Y, Jaramillo M, Bari H, Awan A, Yang S, Zhang S, Liu L, Lu M, O'Connor-McCourt M, Purisima EO, and Wang E

Molecular systems biology 3:152, 2007 - Who cited this? | PubMed ID: 18091723 | Fulltext

Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites.

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Bhat S, Sulea T, and Purisima EO

Journal of computational chemistry 27(16):1899-907, 2006 Dec - Who cited this? | PubMed ID: 16988958 | Fulltext

Impaired helix 12 dynamics due to proline 892 substitutions in the androgen receptor are associated with complete androgen insensitivity.

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Elhaji YA, Stoica I, Dennis S, Purisima EO, Lumbroso R, Beitel LK, and Trifiro MA

Human molecular genetics 15(6):921, 2006 Mar 15 - Who cited this? | PubMed ID: 16449235 | Fulltext

Binding site-based classification of coronaviral papain-like proteases.

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Sulea T, Lindner HA, Purisima EO, and Ménard R

Proteins 62(3):760-75, 2006 Mar 15 - Who cited this? | PubMed ID: 16358325 | Fulltext

Principles of microRNA regulation of a human cellular signaling network.

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Cui Q, Yu Z, Purisima EO, and Wang E

Molecular systems biology 2:46, 2006 - Who cited this? | PubMed ID: 16969338 | Fulltext

Molecular surface generation using a variable-radius solvent probe.

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Bhat S and Purisima EO

Proteins 62(1):244-61, 2006 Jan 1 - Who cited this? | PubMed ID: 16287115 | Fulltext

Inhibition of a cathepsin L-like cysteine protease by a chimeric propeptide-derived inhibitor.

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Godat E, Chowdhury S, Lecaille F, Belghazi M, Purisima EO, and Lalmanach G

Biochemistry 44(31):10486-93, 2005 Aug 9 - Who cited this? | PubMed ID: 16060657 | Fulltext

Carboxy-monopeptidase substrate specificity of human cathepsin X.

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Devanathan G, Turnbull JL, Ziomek E, Purisima EO, Ménard R, and Sulea T

Biochemical and biophysical research communications 329(2):445-52, 2005 Apr 8 - Who cited this? | PubMed ID: 15737607 | Fulltext

Deubiquitination, a new function of the severe acute respiratory syndrome coronavirus papain-like protease?.

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Sulea T, Lindner HA, Purisima EO, and Ménard R

Journal of virology 79(7):4550-1, 2005 Apr - Who cited this? | PubMed ID: 15767458 | Fulltext

Effect of limited solid-state glycation on the conformation of lysozyme by ESI-MSMS peptide mapping and molecular modeling.

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Yeboah FK, Alli I, Yaylayan VA, Yasuo K, Chowdhury SF, and Purisima EO

Bioconjugate chemistry 15(1):27-34, 2004 - Who cited this? | PubMed ID: 14733580 | Fulltext

Bridging structural biology and genetics by computational methods: an investigation into how the R774C mutation in the AR gene can result in complete androgen insensitivity syndrome.

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Wu JH, Gottlieb B, Batist G, Sulea T, Purisima EO, Beitel LK, and Trifiro M

Human mutation 22(6):465-75, 2003 Dec - Who cited this? | PubMed ID: 14635106 | Fulltext

On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculations.

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Rankin KN, Sulea T, and Purisima EO

Journal of computational chemistry 24(8):954-62, 2003 Jun - Who cited this? | PubMed ID: 12720316 | Fulltext

Profiling charge complementarity and selectivity for binding at the protein surface.

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Sulea T and Purisima EO

Biophysical journal 84(5):2883-96, 2003 May - Who cited this? | PubMed ID: 12719221 | Fulltext

Design of noncovalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides.

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Chowdhury SF, Sivaraman J, Wang J, Devanathan G, Lachance P, Qi H, Ménard R, Lefebvre J, Konishi Y, Cygler M, Sulea T, and Purisima EO

Journal of medicinal chemistry 45(24):5321-9, 2002 Nov 21 - Who cited this? | PubMed ID: 12431059 | Fulltext

Implications of the reactive thiol and the proximal non-proline cis-peptide bond in the Structure and function of Vibrio harveyi luciferase.

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Lin LY, Sulea T, Szittner R, Kor C, Purisima EO, and Meighen EA

Biochemistry 41(31):9938-45, 2002 Aug 6 - Who cited this? | PubMed ID: 12146958 | Fulltext

A fast pairwise evaluation of molecular surface area.

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Vasilyev V and Purisima EO

Journal of computational chemistry 23(7):737-45, 2002 May - Who cited this? | PubMed ID: 11948592 | Fulltext

Modeling of the bacterial luciferase-flavin mononucleotide complex combining flexible docking with structure-activity data.

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Lin LY, Sulea T, Szittner R, Vassilyev V, Purisima EO, and Meighen EA

Protein science : a publication of the Protein Society 10(8):1563-71, 2001 Aug - Who cited this? | PubMed ID: 11468353 | Fulltext

Cathepsins X and B can be differentiated through their respective mono- and dipeptidyl carboxypeptidase activities.

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Therrien C, Lachance P, Sulea T, Purisima EO, Qi H, Ziomek E, Alvarez-Hernandez A, Roush WR, and Ménard R

Biochemistry 40(9):2702-11, 2001 Mar 6 - Who cited this? | PubMed ID: 11258881 | Fulltext

The crystal structure of the formiminotransferase domain of formiminotransferase-cyclodeaminase: implications for substrate channeling in a bifunctional enzyme.

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Kohls D, Sulea T, Purisima EO, MacKenzie RE, and Vrielink A

Structure (London, England : 1993) 8(1):35-46, 2000 Jan 15 - Who cited this? | PubMed ID: 10673422 | Fulltext

Human cathepsin X. A novel cysteine protease with unique specificity.

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Ménard R, Nägler DK, Zhang R, Tam W, Sulea T, and Purisima EO

Advances in experimental medicine and biology 477:317-22, 2000 - Who cited this? | PubMed ID: 10849759 | Fulltext

Human cathepsin X: A cysteine protease with unique carboxypeptidase activity.

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Nägler DK, Zhang R, Tam W, Sulea T, Purisima EO, and Ménard R

Biochemistry 38(39):12648-54, 1999 Sep 28 - Who cited this? | PubMed ID: 10504234 | Fulltext

Nonpolar interactions of thrombin and its inhibitors at the fibrinogen recognition exosite: thermodynamic analysis.

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Cheng Y, Slon-Usakiewicz JJ, Wang J, Purisima EO, and Konishi Y

Biochemistry 35(40):13021-9, 1996 Oct 8 - Who cited this? | PubMed ID: 8855937 | Fulltext

Calculation of relative binding free energies and configurational entropies: a structural and thermodynamic analysis of the nature of non-polar binding of thrombin inhibitors based on hirudin55-65.

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Wang J, Szewczuk Z, Yue SY, Tsuda Y, Konishi Y, and Purisima EO

Journal of molecular biology 253(3):473-92, 1995 Oct 27 - Who cited this? | PubMed ID: 7473728 | Fulltext

Conformationally restricted thrombin inhibitors resistant to proteolytic digestion.

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Szewczuk Z, Gibbs BF, Yue SY, Purisima EO, and Konishi Y

Biochemistry 31(38):9132-40, 1992 Sep 29 - Who cited this? | PubMed ID: 1390700 | Fulltext

Conformational stability of a thrombin-binding peptide derived from the hirudin C-terminus.

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Ni F, Ripoll DR, and Purisima EO

Biochemistry 31(9):2545-54, 1992 Mar 10 - Who cited this? | PubMed ID: 1547237 | Fulltext

Characterization of the interactions of a bifunctional inhibitor with alpha-thrombin by molecular modelling and peptide synthesis.

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Yue SY, DiMaio J, Szewczuk Z, Purisima EO, Ni F, and Konishi Y

Protein engineering 5(1):77-85, 1992 Jan - Who cited this? | PubMed ID: 1631048 | Fulltext

Protein structure determination by nuclear magnetic resonance spectroscopy.

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Purisima EO and Blackwell BA

Biotechnology (Reading, Mass.) 14:187-226, 1990 - Who cited this? | PubMed ID: 2158367 | Fulltext

Proton NMR assignments and regular backbone structure of bovine pancreatic ribonuclease A in aqueous solution.

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Robertson AD, Purisima EO, Eastman MA, and Scheraga HA

Biochemistry 28(14):5930-8, 1989 Jul 11 - Who cited this? | PubMed ID: 2775743 | Fulltext

An approach to the multiple-minima problem in protein folding by relaxing dimensionality. Tests on enkephalin.

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Purisima EO and Scheraga HA

Journal of molecular biology 196(3):697-709, 1987 Aug 5 - Who cited this? | PubMed ID: 3681972 | Fulltext

An approach to the multiple-minima problem by relaxing dimensionality.

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Purisima EO and Scheraga HA

Proceedings of the National Academy of Sciences of the United States of America 83(9):2782-6, 1986 May - Who cited this? | PubMed ID: 3458240 | Fulltext

Conversion from a virtual-bond chain to a complete polypeptide backbone chain.

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Purisima EO and Scheraga HA

Biopolymers 23(7):1207-24, 1984 Jul - Who cited this? | PubMed ID: 6547863 | Fulltext

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