VILLARRUEL DUJOVNE, M.; BRINGAS, M.; FELLI, I.C.; RAVERA, E.; DI LELLA, S.; CAPDEVILA, D.A.

Introducing NMR strategies to define water molecules that drive metal binding in a transcriptional regulator

Journal of Magnetic Resonance Open; Año: 2023

CORFIELD, ROCÍO; LALOU, GABRIEL; DI LELLA, SANTIAGO; MARTÍNEZ, KARINA D.; SCHEBOR, CAROLINA; ALLIEVI, MARIANA C.; PÉREZ, OSCAR E.

Experimental and modeling approaches applied to the whey proteins and vitamin B9 complexes study

FOOD HYDROCOLLOIDS; Año: 2023

BRINGAS, MAURO; LUCK, MEIKE; MÜLLER, PETER; SCHEIDT, HOLGER A.; DI LELLA, SANTIAGO

Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study

Membranes; Lugar: Basel; Año: 2022 vol. 12

SARTO, CAROLINA; FLOREZ-RUEDA, SEBASTIÁN; ARRAR, MEHRNOOSH; HACKENBERGER, CHRISTIAN P.R.; LAUSTER, DANIEL; DI LELLA, SANTIAGO

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

BIOLOGICAL CHEMISTRY; Lugar: Berlin; Año: 2022 vol. 0

HARALAMPIEV, IVAN; ALONSO DE ARMIÑO, DIEGO JAVIER; LUCK, MEIKE; FISCHER, MARKUS; ABEL, TOBIAS; HUSTER, DANIEL; DI LELLA, SANTIAGO; SCHEIDT, HOLGER A.; MÜLLER, PETER

Interaction of the small-molecule kinase inhibitors tofacitinib and lapatinib with membranes

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES; Año: 2020 vol. 1862

MALLER, SEBASTIÁN M.; CAGNONI, ALEJANDRO; BANNOUD, NADIA; SIGAUT, LORENA; PÉREZ SÁEZ, JUAN MANUEL; PETRASANTA, LIA; YANG, R-Y.; LIU, F-T.; CROCI, DIEGO OMAR; DI LELLA, SANTIAGO; SUNDBLAD, VICTORIA; RABINOVICH, GABRIEL ADRIÁN; MARIÑO, KARINA

An adipose tissue galectin controls endothelial cell function via preferential recognition of 3-fucosylated glycans

FASEB JOURNAL; Lugar: Bethesda; Año: 2020 vol. 34 p. 735 - 753

HÖFER, C.T.; DI LELLA, S.; DAHMANI, I.; JUNGNICK, N.; BORDAG, N.; BOBONE, S.; HUANG, Q.; KELLER, S.; HERRMANN, A.; CHIANTIA, S.

Structural determinants of the interaction between influenza a virus matrix protein M1 and lipid membranes

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES; Lugar: Amsterdam; Año: 2019 p. 1123 - 1134

MODENUTTI, CARLOS P.; CAPURRO, JUAN I. BLANCO; DI LELLA, SANTIAGO; MARTÍ, MARCELO A.

The Structural Biology of Galectin-Ligand Recognition: Current Advances in Modeling Tools, Protein Engineering, and Inhibitor Design

Frontiers in Chemistry; Año: 2019 vol. 7

SCHOTT, ERIC; DI LELLA, SANTIAGO; BACHVAROFF, TSVETAN R.; AMZEL, MARIO L.; VASTA, GERARDO R.

Lacking catalase, a protistan parasite draws on its photosynthetic ancestry to complete an antioxidant repertoire for intracellular survival

BMC EVOLUTIONARY BIOLOGY; Lugar: Londres; Año: 2019 vol. 19

MEMCZAK, HENRY; LAUSTER, DANIEL; KAR, PARIMAR; DI LELLA, SANTIAGO; VOLKMER, RUDOLF; HERRMANN, ANDREAS; EHRENTREICH-FÖRSTER, EVA; BIER, FRANK F.; STÖCKLEIN, WALTER F. M.

Anti-Hemagglutinin Antibody Derived Lead Peptides for Inhibitors of Influenza Virus Binding

PLOS ONE; Lugar: San Francisco; Año: 2016 vol. 11 p. 1 - 24

DI LELLA, SANTIAGO; HERRMANN, ANDREAS; MAIR, CAROLINE

Modulation of the pH stability of influenza virus hemagglutinin - A host cell adaptation strategy

BIOPHYSICAL JOURNAL; Lugar: United States; Año: 2016 vol. 110 p. 2293 - 2301

ROMERO, JUAN MANUEL; TRUJILLO, MADIA; ESTRIN, DARÍO ARIEL; RABINOVICH, GABRIEL ADRIÁN; DI LELLA, SANTIAGO

Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure

GLYCOBIOLOGY; Lugar: Oxford; Año: 2016

ROBALDO, LAURA; PONTIGGIA, RODRIGO; DI LELLA, SANTIAGO; ESTRIN, DARÍO ARIEL; ENGELS, JOACHIM W.; IRIBARREN, ADOLFO M.; MONTSERRAT, JAVIER M.

Conformational States of 2'-C-methylpyrimidine nucleosides in single and double nucleic Acid stranded structures.

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Lugar: Washington; Año: 2013 vol. 117 p. 57 - 69

GAUTO, DIEGO FERNANDO; PETRUK, ARIEL ALCIDES; MODENUTTI, CARLOS; BLANCO, JUAN; DI LELLA, SANTIAGO; MARTÍ, MARCELO ADRIÁN

Solvent structure improves docking prediction in Lectin-Carbohydrate complexes

GLYCOBIOLOGY; Lugar: Oxford; Año: 2013 vol. 23 p. 241 - 258

ARROYO-MAÑEZ, PAU; BIKIEL, DAMIÁN EZEQUIEL; BOECHI, LEONARDO; CAPECE, LUCIANA; DI LELLA, SANTIAGO; ESTRIN, DARÍO ARIEL; MARTÍ, MARCELO ADRIÁN; MORENO, DIEGO MARTÍN; NADRA, ALEJANDRO DANIEL; PETRUK, ARIEL ALCIDES

Protein dynamics and ligand migration interplay as studied by computer simulation

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS; Lugar: Amsterdam; Año: 2011 vol. 1814 p. 1054 - 1064

GUARDIA, CARLOS MANUEL ALBERTO; GAUTO, DIEGO FERNANDO; DI LELLA, SANTIAGO; RABINOVICH, GABRIEL ADRIÁN; MARTÍ, MARCELO ADRIÁN; ESTRIN, DARÍO ARIEL

An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington, D. C.; Año: 2011

DI LELLA, SANTIAGO; SUNDBLAD, VICTORIA; CERLIANI, JUAN PABLO; GUARDIA, CARLOS MANUEL ALBERTO; ESTRIN, DARÍO ARIEL; VASTA, GERARDO R.; RABINOVICH, GABRIEL ADRIÁN

When galectins recognize glycans: from biochemistry to physiology and back again

BIOCHEMISTRY; Lugar: Washington, D.C.; Año: 2011 vol. 50 p. 7842 - 7857

GAUTO, DIEGO FERNANDO; DI LELLA, SANTIAGO; ESTRIN, DARÍO ARIEL; MÓNACO, HUGO; MARTÍ, MARCELO ADRIÁN

Structural basis for ligand recognition in a mushroom lectin: solvent structure as specificity predictor.

CARBOHYDRATE RESEARCH; Lugar: Amsterdam; Año: 2011 vol. 346 p. 939 - 948

DI LELLA, SANTIAGO; PETRUK, ARIEL ALCIDES; ALONSO DE ARMIÑO, DIEGO JAVIER; ÁLVAREZ, ROSA MARÍA SUSANA

Specific intermolecular interactions of conserved water molecules with amino acids in the Galectin-1 carbohydrate recognition domain

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2010 vol. 978 p. 220 - 228

DI LELLA, SANTIAGO; MARTÍ, MARCELO ADRIÁN; CROCI, DIEGO OMAR; GUARDIA, CARLOS MANUEL ALBERTO; DÍAZ RICCI, JUAN CARLOS; RABINOVICH, GABRIEL ADRIÁN; CARAMELO, JULIO JAVIER; ESTRIN, DARÍO ARIEL

Linking the Structure and Thermal Stability of β-Galactoside-Binding Protein Galectin-1 to Ligand Binding and Dimerization Equilibria

BIOCHEMISTRY; Lugar: Washington, D. C.; Año: 2010 vol. 49 p. 7652 - 7658

DI LELLA, SANTIAGO; MA, LU; DÍAZ RICCI, JUAN CARLOS; RABINOVICH, GABRIEL ADRIÁN; ASHER, SANFORD A.; ÁLVAREZ, ROSA MARÍA SUSANA

Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose

BIOCHEMISTRY; Lugar: Washington; Año: 2009 vol. 48 p. 786 - 791

GAUTO, DIEGO FERNANDO; DI LELLA, SANTIAGO; GUARDIA, CARLOS MANUEL ALBERTO; ESTRIN, DARÍO ARIEL; MARTÍ, MARCELO ADRIÁN

Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.

JOURNAL OF PHYSICAL CHEMISTRY B; Lugar: Washington, D.C.; Año: 2009 vol. 113 p. 8717 - 8724

DI LELLA, SANTIAGO; MARTÍ, MARCELO ADRIÁN; ÁLVAREZ, ROSA MARÍA SUSANA; ESTRIN, DARÍO ARIEL; DÍAZ RICCI, JUAN CARLOS

Characterization of the Galectin-1 carbohydrate recognition domain in terms of solvent occupancy

JOURNAL OF PHYSICAL CHEMISTRY B; Lugar: Washington DC; Año: 2007 vol. 111 p. 7360 - 7366

BIKIEL, DAMIÁN EZEQUIEL; BOECHI, LEONARDO; CAPECE, LUCIANA; CRESPO, ALEJANDRO; DE BIASE, PABLO MARTÍN; DI LELLA, SANTIAGO; GONZÁLEZ LEBRERO, MARIANO CAMILO; MARTÍ, MARCELO ADRIÁN; NADRA, ALEJANDRO DANIEL; PERISSINOTTI, LAURA LILIANA; SCHERLIS, DAMIÁN ARIEL; ESTRIN, DARÍO ARIEL

Modeling heme proteins using atomistic simulations

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2006 vol. 8 p. 5611 - 5628