Aromatic clusters in protein–protein and protein–drug complexes

von Lanzarotti, Esteban, Defelipe, Lucas A., Marti, Marcelo A., Turjanski, Adrián G.
Veröffentlicht in J Cheminform (2020)

Rapid Whole-Cell Assay of Antitubercular Drugs Using Second-Generation Fluoromycobacteriophages

von Urdániz, Estefanía, Rondón, Liliana, Martí, Marcelo A., Hatfull, Graham F., Piuri, Mariana
Veröffentlicht in Antimicrob Agents Chemother (2016)

pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pK(a)s: The Case of Nitrophorin 4

von Di Russo, Natali V., Estrin, Dario A., Martí, Marcelo A., Roitberg, Adrian E.
Veröffentlicht 2012

Protein Topology Determines Cysteine Oxidation Fate: The Case of Sulfenyl Amide Formation among Protein Families

von Defelipe, Lucas A., Lanzarotti, Esteban, Gauto, Diego, Marti, Marcelo A., Turjanski, Adrián G.
Veröffentlicht in PLoS Comput Biol (2015)

Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations

von Bringas, Mauro, Petruk, Ariel A., Estrin, Darío A., Capece, Luciana, Martí, Marcelo A.
Veröffentlicht in Sci Rep (2017)

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

von Modenutti, Carlos P., Capurro, Juan I. Blanco, Di Lella, Santiago, Martí, Marcelo A.
Veröffentlicht in Front Chem (2019)

Molecular basis for the substrate stereoselectivity in Tryptophan Dioxygenase

von Capece, Luciana, Lewis-Ballester, Ariel, Marti, Marcelo A., Estrin, Dario A., Yeh, Syun-Ru
Veröffentlicht 2011

The Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations

von Capece, Luciana, Lewis-Ballester, Ariel, Yeh, Syun-Ru, Estrin, Dario A., Marti, Marcelo A.
Veröffentlicht 2012

Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7

von Boechi, Leonardo, Arrar, Mehrnoosh, Martí, Marcelo A., Olson, John S., Roitberg, Adrián E., Estrin, Darío A.
Veröffentlicht 2013

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

von Bustamante, Juan P., Radusky, Leandro, Boechi, Leonardo, Estrin, Darío A., ten Have, Arjen, Martí, Marcelo A.
Veröffentlicht in PLoS Comput Biol (2016)

A quantitative model for oxygen uptake and release in a family of hemeproteins

von Bustamante, Juan P., Szretter, María E., Sued, Mariela, Martí, Marcelo A., Estrin, Darío A., Boechi, Leonardo
Veröffentlicht in Bioinformatics (2016)

pH Dependent Mechanism of Nitric Oxide Release in Nitrophorins 2 and 4

von Swails, Jason M., Meng, Yilin, Walker, F. Ann, Marti, Marcelo A., Estrin, Dario A., Roitberg, Adrian E.
Veröffentlicht 2009

TuberQ: a Mycobacterium tuberculosis protein druggability database

von Radusky, Leandro, Defelipe, Lucas A., Lanzarotti, Esteban, Luque, Javier, Barril, Xavier, Marti, Marcelo A., Turjanski, Adrián G.
Veröffentlicht 2014

Solvents to Fragments to Drugs: MD Applications in Drug Design

von Defelipe, Lucas A., Arcon, Juan Pablo, Modenutti, Carlos P., Marti, Marcelo A., Turjanski, Adrián G., Barril, Xavier
Veröffentlicht in Molecules (2018)

Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications

von Álvarez, Lucía, Lewis-Ballester, Ariel, Roitberg, Adrián, Estrin, Darío A., Yeh, Syun-Ru, Marti, Marcelo A., Capece, Luciana
Veröffentlicht in Biochemistry (2016)

Genetics and genomic medicine in Argentina

von Vishnopolska, Sebastián A., Turjanski, Adrián G., Herrera Piñero, Mariana, Groisman, Boris, Liascovich, Rosa, Chiesa, Ana, Marti, Marcelo A.
Veröffentlicht in Mol Genet Genomic Med (2018)

Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: Computer simulation studies in model tyrosine-cysteine peptides in solution

von Petruk, Ariel A., Bartesaghi, Silvina, Trujillo, Madia, Estrin, Darío A., Murgida, Daniel, Kalyanaraman, Balaraman, Marti, Marcelo A., Radi, Rafael
Veröffentlicht 2012

The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies

von Capece, Luciana, Lewis-Ballester, Ariel, Batabyal, Dipanwita, Di Russo, Natali, Yeh, Syun-Ru, Estrin, Dario A., Marti, Marcelo A.
Veröffentlicht in J Biol Inorg Chem (2010)

Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action

von Trajtenberg, Felipe, Imelio, Juan A, Machado, Matías R, Larrieux, Nicole, Marti, Marcelo A, Obal, Gonzalo, Mechaly, Ariel E, Buschiazzo, Alejandro
Veröffentlicht in eLife (2016)

Kinase Activation by Small Conformational Changes

von Lopez, Elias D., Burastero, Osvaldo, Arcon, Juan P., Defelipe, Lucas A., Ahn, Natalie G., Marti, Marcelo A., Turjanski, Adrian G.
Veröffentlicht in J Chem Inf Model (2019)