WARECKI, BRENDA A.; TOMATIS, PABLO E.; MOJICA, MARÍA F.; BETHEL, CHRISTOPHER R.; RODRÍGUEZ SARAVIA, MAGDALENA; DRUSIN, SALVADOR I.; ONO, DAISUKE; BAHR, GUILLERMO; PAPP-WALLACE, KRISZTINA; TAMMA, PRANITA D.; MORENO, DIEGO M.; MAHLER, GRACIELA; BONOMO, ROBERT A.; VILA, ALEJANDRO J.

Cefiderocol under siege? Understanding the rise of NDM-mediated resistance to novel agents

Chemical Science; Año: 2025 vol. 16 p. 12519 - 12533

CARNEVALE, MATÍAS C.; PALACIOS, ANTONELA R.; HINCHLIFFE, PHILIP; DELMONTI, JULIANA; DRUSIN, SALVADOR I.; MORENO, DIEGO M.; BONOMO, ROBERT A.; SPENCER, JAMES; VILA, ALEJANDRO J.

Active site loops of membrane-anchored metallo-β-lactamases from environmental bacteria determine cephalosporinase activity

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY; Lugar: Washington; Año: 2025

LE TERRIER, CHRISTOPHE; DRUSIN, SALVADOR I.; NORDMANN, PATRICE; PITOUT, JOHANN; PEIRANO, GISELE; VILA, ALEJANDRO J.; MORENO, DIEGO M.; POIREL, LAURENT

The emerging concern of IMP variants being resistant to the only IMP-type metallo-β-lactamase inhibitor, xeruborbactam

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY; Lugar: Washington; Año: 2025

SEMELAK, JONATHAN A.; PICKERING, IGNACIO; HUDDLESTON, KATE; OLMOS, JUSTO; GRASSANO, JUAN SANTIAGO; CLEMENTE, CAMILA MARA; DRUSIN, SALVADOR I.; MARTI, MARCELO; GONZALEZ LEBRERO, MARIANO CAMILO; ROITBERG, ADRIAN E.; ESTRIN, DARIO A.

Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Lugar: Washington; Año: 2025

FRATTINI, GIANFRANCO; PUZZOLO, JUAN L.; DRUSIN, SALVADOR I.; MANSILLA, SANTIAGO; RADI, RAFAEL; DEMICHELI, VERÓNICA; MORENO, DIEGO M.

Human Mn-superoxide dismutase acetylation protects from enzyme nitration and inactivation

ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS; Año: 2025 vol. 769

DRUSIN, SALVADOR I.; LE TERRIER, CHRISTOPHE; POIREL, LAURENT; BONOMO, ROBERT A.; VILA, ALEJANDRO J.; MORENO, DIEGO M.

Structural basis of metallo-β-lactamase resistance to taniborbactam

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY; Lugar: Washington; Año: 2024 vol. 68

ONO, DAISUKE; MOJICA, MARIA F.; BETHEL, CHRISTOPHER R.; ISHII, YOSHIKAZU; DRUSIN, SALVADOR I.; MORENO, DIEGO M.; VILA, ALEJANDRO J.; BONOMO, ROBERT A.

Structural role of K224 in taniborbactam inhibition of NDM-1

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY; Lugar: Washington; Año: 2024 vol. 68

ONO, DAISUKE; CMOLIK, ANNA; BETHEL, CHRISTOPHER R.; ISHII, YOSHIKAZU; DRUSIN, SALVADOR I.; MORENO, DIEGO M.; VILA, ALEJANDRO J.; BONOMO, ROBERT A.; MOJICA, MARIA F.

The interaction of the azetidine thiazole side chain with the active site loop (ASL) 3 drives the evolution of IMP metallo-β-lactamase against tebipenem

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY; Lugar: Washington; Año: 2024 vol. 68

HAMMERSCHMID, DIETMAR; GERMANI, FRANCESCA; DRUSIN, SALVADOR I.; FAGNEN, CHARLINE; SCHUSTER, CLAUDIO D.; HOOGEWIJS, DAVID; MARTI, MARCELO A.; VENIEN-BRYAN, CATHERINE; MOENS, LUC; VAN DOORSLAER, SABINE; SOBOTT, FRANK; DEWILDE, SYLVIA

Structural modeling of a novel membrane-bound globin-coupled sensor in Geobacter sulfurreducens

Computational and Structural Biotechnology Journal; Año: 2021

FAGO, ANGELA; NATARAJAN, CHANDRASEKHAR; PETTINATI, MARTÍN; HOFFMANN, FEDERICO G.; WANG, TOBIAS; WEBER, ROY E; DRUSIN, SALVADOR I; ISSOGLIO, FEDERICO MATIAS; MARTI, MARCELO A; ESTRIN, DARIO A; STORZ, JAY F.

Structure and function of crocodilian hemoglobins and allosteric regulation by chloride, ATP and CO2

AMERICAN JOURNAL OF PHYSIOLOGY-REGULATORY, INTEGRATIVE AND COMPARATIVE PHYSIOLOGY; Año: 2020 vol. 318 p. 657 - 667

OLIVIERI, FEDERICO A.; BURASTERO, OSVALDO; DRUSIN, SALVADOR I.; DEFELIPE, LUCAS A.; WETZLER, DIANA E.; TURJANSKI, ADRIÁN; MARTI, MARCELO

Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2020 vol. 60 p. 833 - 842

BORTOLOTTI, ANA; VAZQUEZ, DANIELA BELÉN; ALMADA, JUAN CRUZ; INDA, MARIA EUGENIA; DRUSIN, SALVADOR IVÁN; VILLALBA, JUAN MANUEL; MORENO, DIEGO M.; RUYSSCHAERT, JEAN MARIE; CYBULSKI, LARISA ESTEFANIA

A Transmembrane Histidine Kinase Functions as a pH Sensor

Biomolecules; Lugar: Basel; Año: 2020 vol. 10

ROJAS, ARANTXA M. L.; DRUSIN, SALVADOR I.; CHOROSTECKI, UCIEL; MATEOS, JULIETA L.; MORO, BELÉN; BOLOGNA, NICOLAS G.; BRESSO, EDGARDO G.; SCHAPIRE, ARNALDO; RASIA, RODOLFO M.; MORENO, DIEGO M.; PALATNIK, JAVIER F.

Identification of key sequence features required for microRNA biogenesis in plants

NATURE COMMUNICATIONS; Año: 2020 vol. 11

DRUSIN, SALVADOR I.; RASIA, RODOLFO M.; MORENO, DIEGO M.

Study of the role of Mg2+ in dsRNA processing mechanism by bacterial RNase III through QM/MM simulations

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY; Año: 2020

PUZZOLO, JUAN LUIS; DRUSIN, SALVADOR IVÁN; DAIER, VERÓNICA ANDREA; SIGNORELLA, SANDRA; MORENO, DIEGO MARTÍN

Using theoretical calculations to predict the redox potential of mononuclear manganese complexes

NEW JOURNAL OF CHEMISTRY; Año: 2018 vol. 42 p. 14827 - 14831

MORÁN-BARRIO, JORGELINA; LISA, MARÍA-NATALIA; LARRIEUX, NICOLE; DRUSIN, SALVADOR I.; VIALE, ALEJANDRO M.; MORENO, DIEGO M.; BUSCHIAZZO, ALEJANDRO; VILA, ALEJANDRO J.

Crystal Structure of the Metallo-ß-Lactamase GOB in the Periplasmic Di-Zinc Form Reveals an Unusual Metal Site

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY; Lugar: Washington; Año: 2016 vol. 60 p. 6013 - 6022

DRUSIN, SALVADOR I.; SUAREZ, IRINA P.; GAUTO, DIEGO F.; RASIA, RODOLFO M.; MORENO, DIEGO M.

dsRNA-protein interactions studied by molecular dynamics techniques. Unravelling dsRNA recognition by DCL1

ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS; Lugar: Amsterdam; Año: 2016 vol. 596 p. 118 - 125