Aromatic clusters in protein–protein and protein–drug complexes

Por Lanzarotti, Esteban, Defelipe, Lucas A., Marti, Marcelo A., Turjanski, Adrián G.
Publicado no J Cheminform (2020)

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

Por Urdániz, Estefanía, Rondón, Liliana, Martí, Marcelo A., Hatfull, Graham F., Piuri, Mariana
Publicado no Antimicrob Agents Chemother (2016)

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

Por Di Russo, Natali V., Estrin, Dario A., Martí, Marcelo A., Roitberg, Adrian E.
Publicado em 2012

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

Por Defelipe, Lucas A., Lanzarotti, Esteban, Gauto, Diego, Marti, Marcelo A., Turjanski, Adrián G.
Publicado no PLoS Comput Biol (2015)

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

Por Bringas, Mauro, Petruk, Ariel A., Estrin, Darío A., Capece, Luciana, Martí, Marcelo A.
Publicado no Sci Rep (2017)

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

Por Modenutti, Carlos P., Capurro, Juan I. Blanco, Di Lella, Santiago, Martí, Marcelo A.
Publicado no Front Chem (2019)

Molecular basis for the substrate stereoselectivity in Tryptophan Dioxygenase

Por Capece, Luciana, Lewis-Ballester, Ariel, Marti, Marcelo A., Estrin, Dario A., Yeh, Syun-Ru
Publicado em 2011

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

Por Capece, Luciana, Lewis-Ballester, Ariel, Yeh, Syun-Ru, Estrin, Dario A., Marti, Marcelo A.
Publicado em 2012

Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7

Por Boechi, Leonardo, Arrar, Mehrnoosh, Martí, Marcelo A., Olson, John S., Roitberg, Adrián E., Estrin, Darío A.
Publicado em 2013

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

Por Bustamante, Juan P., Radusky, Leandro, Boechi, Leonardo, Estrin, Darío A., ten Have, Arjen, Martí, Marcelo A.
Publicado no PLoS Comput Biol (2016)

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

Por Bustamante, Juan P., Szretter, María E., Sued, Mariela, Martí, Marcelo A., Estrin, Darío A., Boechi, Leonardo
Publicado no Bioinformatics (2016)

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

Por Swails, Jason M., Meng, Yilin, Walker, F. Ann, Marti, Marcelo A., Estrin, Dario A., Roitberg, Adrian E.
Publicado em 2009

TuberQ: a Mycobacterium tuberculosis protein druggability database

Por Radusky, Leandro, Defelipe, Lucas A., Lanzarotti, Esteban, Luque, Javier, Barril, Xavier, Marti, Marcelo A., Turjanski, Adrián G.
Publicado em 2014

Solvents to Fragments to Drugs: MD Applications in Drug Design

Por Defelipe, Lucas A., Arcon, Juan Pablo, Modenutti, Carlos P., Marti, Marcelo A., Turjanski, Adrián G., Barril, Xavier
Publicado no Molecules (2018)

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

Por Álvarez, Lucía, Lewis-Ballester, Ariel, Roitberg, Adrián, Estrin, Darío A., Yeh, Syun-Ru, Marti, Marcelo A., Capece, Luciana
Publicado no Biochemistry (2016)

Genetics and genomic medicine in Argentina

Por Vishnopolska, Sebastián A., Turjanski, Adrián G., Herrera Piñero, Mariana, Groisman, Boris, Liascovich, Rosa, Chiesa, Ana, Marti, Marcelo A.
Publicado no 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

Por Petruk, Ariel A., Bartesaghi, Silvina, Trujillo, Madia, Estrin, Darío A., Murgida, Daniel, Kalyanaraman, Balaraman, Marti, Marcelo A., Radi, Rafael
Publicado em 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

Por Capece, Luciana, Lewis-Ballester, Ariel, Batabyal, Dipanwita, Di Russo, Natali, Yeh, Syun-Ru, Estrin, Dario A., Marti, Marcelo A.
Publicado no J Biol Inorg Chem (2010)

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

Por Trajtenberg, Felipe, Imelio, Juan A, Machado, Matías R, Larrieux, Nicole, Marti, Marcelo A, Obal, Gonzalo, Mechaly, Ariel E, Buschiazzo, Alejandro
Publicado no eLife (2016)

Evidence for a ferryl intermediate in a heme-based dioxygenase

Por Lewis-Ballester, Ariel, Batabyal, Dipanwita, Egawa, Tsuyoshi, Lu, Changyuan, Lin, Yu, Marti, Marcelo A., Capece, Luciana, Estrin, Dario A., Yeh, Syun-Ru
Publicado em 2009