ESPINOSA, YANIS R.; ALVAREZ, H. ARIEL; HOWARD, EDUARDO I.; CARLEVARO, C. MANUEL

Molecular dynamics simulation of the heart type fatty acid binding protein in a crystal environment

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS; Año: 2020 p. 1 - 10

VAN ZANDT, MICHAEL C.; JAGDMANN, G. ERIK; WHITEHOUSE, DARREN L.; JI, MINKOO; SAVOY, JENNIFER; POTAPOVA, OLGA; COUSIDO-SIAH, ALEXANDRA; MITSCHLER, ANDRE; HOWARD, EDUARDO I.; PYLE, ANNA MARIE; PODJARNY, ALBERTO D.

Discovery of N -Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II

JOURNAL OF MEDICINAL CHEMISTRY; Lugar: Washington; Año: 2019 vol. 62 p. 8164 - 8177

BEDEZ, CLAIRE; LOTZ, CHRISTOPHE; BATISSE, CLAIRE; BROECK, ARNAUD VANDEN; STOTE, ROLAND H.; HOWARD, EDUARDO; PRADEAU-AUBRETON, KARINE; RUFF, MARC; LAMOUR, VALÉRIE

Post-translational modifications in DNA topoisomerase 2α highlight the role of a eukaryote-specific residue in the ATPase domain

Scientific Reports; Año: 2018 vol. 8

HOWARD, EDUARDO; COUSIDO-SIAH, ALEXANDRA; LEPAGE, MATHIEU L.; SCHNEIDER, JÉRÉMY P.; BODLENNER, ANNE; MITSCHLER, ANDRÉ; MELI, ALESSANDRA; IZZO, IRENE; ALVAREZ, H. ARIEL; PODJARNY, ALBERTO; COMPAIN, PHILIPPE

Structural Basis of Outstanding Multivalent Effects in Jack Bean α-Mannosidase Inhibition

Angewandte Chemie; Lugar: Weinheim; Año: 2018 vol. 130 p. 8134 - 8138

NOGUERA, MARTÍN E.; VAZQUEZ, DIEGO S.; FERRER-SUETA, GERARDO; AGUDELO, WILLIAM A.; HOWARD, EDUARDO I; RASIA, RODOLFO M.; MANTA, BRUNO; COUSIDO-SIAH, ALEXANDRA; MITSCHLER, ANDRÉ; PODJARNY, ALBERTO; SANTOS, JAVIER

Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants

Scientific Reports; Año: 2017 vol. 7

HOWARD, EDUARDO I; GUILLOT B; BLAKELEY, MATTHEW P.; HAERTLEIN, MICHAEL; MOULIN, M; MITSCHLER, ANDRE; COUSIDO-SIAH, ALEXANDRA; FADEL, FIRAS; VALSECCHI, WANDA; PETROVA, TATIANA; CLAUDOT, J; PODJARNY, ALBERTO

High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP?oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electrondensity distribution

International Union of Crystallography Journal; Año: 2016 vol. 3 p. 115 - 126

FADEL, FIRAS; ZHAO, YUGUANG; CACHAU, RAUL; COUSIDO-SIAH, ALEXANDRA; RUIZ, FRANCESC X.; HARLOS, KARL; HOWARD, EDUARDO I; MITSCHLER, ANDRE; PODJARNY, ALBERTO

New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY; Lugar: Londres; Año: 2015 vol. 71 p. 1455 - 1470

HOWARD, EDUARDO I; BLAKELEY, MATTHEW P.; SALVAY, ANDRES G.; PODJARNY, ALBERTO

Use of neutron scattering techniques for antifreeze protein mechanistic studies

Neutrons News; Año: 2014 vol. 25 p. 24 - 27

FISHER, STUART J.; BLAKELEY, MATTHEW P.; HOWARD, EDUARDO I; PETIT-HAERTLEIN, ISABELLE; HAERTLEIN, MICHAEL; MITSCHLER, ANDRE; COUSIDO-SIAH, ALEXANDRA; SALVAY, ANDRES G.; PETROVA, TATIANA; PODJARNY, ALBERTO

Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY; Lugar: Londres; Año: 2014 vol. 70 p. 3266 - 3272

VAN ZANDT MC; WHITEHOUSE, DARREN; GOLEBOWSKI, ADAM; JI, MIN; ZHANG, MINGBAO; BECKETT, PAUL; JAGDMANN, ERIK; DANGELO, GERARD; MITSCHLER, ANDRE; COUSIDO-SIAH, ALEXANDRA; RUIZ, FRANCESC X.; HOWARD, EDUARDO I; PODJARNY, ALBERTO; SCHROETER, HAGEN

Discovery of (R)‑2-Amino-6-borono-2-(2-(piperidin-1- yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury

JOURNAL OF MEDICINAL CHEMISTRY; Lugar: Washington; Año: 2013 vol. 56 p. 2568 - 2580

COUSIDO-SIAH, ALEXANDRA; PETROVA, TATIANA; HAZEMANN, ISABELLE; MITSCHLER, ANDRE; HOWARD, EDUARDO I; VAN DORSSELAER, A; JOACHIMIAK A,; PODJARNY, ALBERTO

Crystal packing modifies ligand binding affinity: The case of aldose reductase

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Lugar: New York; Año: 2012 vol. 80 p. 2552 - 2561

HOWARD, EDUARDO I; BLAKELEY, MATTHEW P.; HAERTLEIN, MICHAEL; PETIT-HAERTLEIN, ISABELLE; MITSCHLER, ANDRE; FISHER, STUART J.; COUSIDO-SIAH, ALEXANDRA; SALVAY, ANDRES G.; POPOV, ALEXANDRE; DIECKMANN, CHRISTOPH MULLER-; PETROVA, TATIANA; PODJARNY, ALBERTO

Neutron structure of type III Antifreeze Protein allows the reconstruction of AFP-ice interface

JOURNAL OF MOLECULAR RECOGNITION; Lugar: LOndres; Año: 2011 vol. 24 p. 724 - 732

PETIT-HAERTLEIN, ISABELLE; BLAKELEY, MATTHEW P.; HOWARD, EDUARDO I; HAZEMANN, ISABELLE; MITSCHLER, ANDRE; PODJARNY, ALBERTO; HAERTLEIN, MICHAEL

Incorporation of methyl-protonated valine and leucine residues into deuterated ocean pout type III antifreeze protein: expression, crystallization and preliminary neutron diffraction studies

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS; Año: 2010

SALVAY, ANDRES G.; GABEL, FRANK; PUCCI, BERNARD; SANTOS, JAVIER; HOWARD, EDUARDO I; EBEL, CHRISTINE

Characterization of fish type III antifreeze protein in solution: Structure and function.

BIOPHYSICAL JOURNAL; Año: 2010 vol. 99 p. 609 - 618

BLAKELEY, MATTHEW P.; TEIXEIRA, SUSANA ; PETIT-HAERTLEIN, ISABELLE; HAZEMANN, ISABELLE; HAERTLEIN, MICHAEL; HOWARD, EDUARDO I; PODJARNY, ALBERTO

Neutron macromolecular crystallography with LADI-III

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY; Año: 2010 vol. 66 p. 1198 - 1205

HOWARD, EDUARDO I; FERNANDEZ, JOSE MIGUEL; GARCIA-RUIZ, JUAN MANUEL

On the Mixing of Protein Crystallization Cocktails

CRYSTAL GROWTH & DESIGN; Año: 2009 vol. 9 p. 2707 - 2712

PETIT-HAERTLEIN, ISABELLE; BLAKELEY, MATTHEW P.; HOWARD, EDUARDO I; HAZEMANN, ISABELLE; MITSCHLER, ANDRE; HAERTLEIN, MICHAEL; PODJARNY, ALBERTO

Perdeuteration, purification, crystallization and preliminary neutron diffraction of an ocean pout type III antifreeze protein.

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS; Año: 2009 vol. 65 p. 406 - 409

SALVAY, ANDRES G.; SANTOS, JAVIER; HOWARD, EDUARDO I

Electro-optical properties characterization of Fish Type III Antifreeze Protein

JOURNAL OF BIOLOGICAL CHEMISTRY; Año: 2008 vol. 33 p. 389 - 397

IGNACIO HOWARD, EDUARDO; SANISHVILI R,; CACHAU RE,; MITSCHLER A,; CHEVRIER B,; BARTH P,; LAMOUR V,; ZANDT M, VAN; SIBLEY E,; BON C,; MORAS D,; SCHNEIDER TR,; JOACHIMIAK A,; PODJARNY A,

Ultrahigh resolution drug design I: Human aldose reductase - inhibitor complex at 0.66 Å

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Año: 2004 vol. 55 p. 792 - 804

VAN ZANDT MC; SIBLEY EO,; MCCANN EE,; COMBS KJ,; FLAM B,; SAWICKI DR,; SABETTA A,; CARRINGTON A,; SREDY J,; IGNACIO HOWARD, EDUARDO; MITSCHLER A,; PODJARNY AD,

Design and synthesis of highly potent and selective (2-arylcarbamoyl-phenoxy)-acetic acid inhibitors of aldose reductase for treatment of chronic diabetic complications.

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2004 vol. 12 p. 5661 - 5675

MUZET N; GUILLOT B; JELSH C; HOWARD, EDUARDO I; LECOMTE C,

Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA; Año: 2003 vol. 100 p. 8742 - 8747

HOWARD, EDUARDO I; R.E.CACHAU

Ink-Jet Printer Heads for Ultra-Small-Drop Protein Crystallography

BIOTECHNIQUES; Año: 2002 vol. 33 p. 1302 - 1306

CALDERONE, V.; CHEVRIER B,; VAN ZANDT MC; LAMOUR V,; HOWARD, EDUARDO I; BARTH P,; MITSCHLER A,; MORAS D,; PODJARNY AD,

The structure of human aldose reductase bound to the inhibitor IDD384

Acta Crystallographica Section D-Biological Crystallography; Año: 2000 vol. 56 p. 536 - 540

CACHAU RE,; HOWARD, EDUARDO I; BARTH P,; MITSCHLER A,; CHEVRIER B,; LAMOUR V,; JOACHIMIAK A,; MORAS D,; PODJARNY AD,

Model of the catalytic mechanism of human aldose reductase based on quantum chemical calculations

Journal de Physique IV; Año: 2000 vol. 10 p. 3 - 13

HOWARD, EDUARDO I; LAMOUR V,; MITSCHLER A,; BARTH P,; MORAS D,; PODJARNY AD,

Resolution improvement to 0.9 Å in crystals of human Aldose Reductase

Acta Crystallographica A; Año: 1999 vol. 55S p. 1 - 1

LAMOUR V,; BARTH P,; ROGNIAUX, H.; HOWARD, EDUARDO I; MITSCHLER A,; PODJARNY AD,; MORAS D,

Production of crystals of human aldose reductase with high resolution diffraction

Acta Crystallographica Section D-Biological Crystallography; Año: 1999 vol. 55 p. 721 - 723

ROGNIAUX, H.; BARBANTON, J.; BARTH P,; CHEVRIER B,; HOWARD, EDUARDO I; MITSCHLER A,; MORAS D,; PODJARNY AD,

Binding of Aldose Reductase inhibitors: Correlation of crystallographic and mass spectrometric studies

Journal of The American Society for Mass Spectrometry; Año: 1999 vol. 10 p. 635 - 647

PODJARNY AD,; HOWARD, EDUARDO I; URZHUMTSEV, A.; GRIGERA, J. R.

A multicopy modeling of the water distribution in macromolecular crystals

Proteins: Structure, Function and Genetics; Año: 1998 vol. 28 p. 303 - 312

HOWARD, EDUARDO I; GRIGERA, J. R.; PODJARNY AD,; URZHUMTSEV, A.

Multicopy modeling of the solvent distribution in macromolecular crystals

Acta Crystallographica A; Año: 1997 vol. 52 p. 86 - 86

DONNAMARIA, M. C.; MARAGNON, J.; HOWARD, EDUARDO I; FANTONI, A.; GRIGERA, J. R.

The influence in charge calculation on the molecular dynamics of adenine in water

Molecular Simulation; Año: 1996 vol. 18 p. 101 - 113

HOWARD, EDUARDO I; GRIGERA, J. R.

Analysis of sweetnes properties of pyranoses in solution using Molecular Dynamics Simulation

Carbohydrate Research; Año: 1996 vol. 282 p. 25 - 40

HOWARD, EDUARDO I; GRIGERA, J. R.; GRIGERA, T.; PODJARNY AD,

On the problem of solvent modeling in macromolecular crystals using diffraction data: 2. Using molecular dynamics in the middle resolution range

CCP4 and EACBM Newsletter; Año: 1995 vol. 31 p. 17 - 19

DONNAMARIA, M. C.; HOWARD, EDUARDO I; GRIGERA, J. R.

Interaction of water with , -trehalose in solution: molecular dynamics simulation approach

Journal of Chem. Soc. Faraday Trans; Año: 1994 vol. 90 p. 2731 - 2736

GALEMA, S. A.; HOWARD, EDUARDO I; ENGBERTS, J. B. F. N.; GRIGERA, J. R.

The effect of stereochemistry upon carbohydrate hydration. A molecular mechanics simulation of -D-galactopyranose and (,)-D-talopyranose

Carbohydrate Research; Año: 1994 vol. 265 p. 215 - 225

GRIGERA, J. R.; GRIGERA, T.; HOWARD, EDUARDO I; PODJARNY AD,

Molecular dynamics simulation of crystal water with X-ray constraints

International Journal of Quantum Chemistry; Año: 1994 vol. 21 p. 109 - 116

DONNAMARIA, M. C.; HOWARD, EDUARDO I; GRIGERA, J. R.

Conformation analysis of Trehalose. Molecular Mechanics and Dynamics Simulation

Reports of the International Center of Theoretical Physics; Año: 1992 vol. 92 p. 230 - 230

HOWARD, EDUARDO I; GRIGERA, J. R.

Conformations of erythritol and L-threitol in aqueous solution in relation to sweetness properties: a molecular dynamics simulation

Journal of Chem. Soc. Faraday Trans; Año: 1992 vol. 88 p. 437 - 441

LORENZO C,; HOWARD, EDUARDO I; NAGEL R,

Studies on Tn10 transposition and excision in DNA-repair mutants of Salmonella typhimurium

MUTATION RESEARCH; Año: 1990 vol. 232 p. 99 - 104