Aromatic clusters in protein–protein and protein–drug complexes

av Lanzarotti, Esteban, Defelipe, Lucas A., Marti, Marcelo A., Turjanski, Adrián G.
I publikationen J Cheminform (2020)

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

av Urdániz, Estefanía, Rondón, Liliana, Martí, Marcelo A., Hatfull, Graham F., Piuri, Mariana
I publikationen Antimicrob Agents Chemother (2016)

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

av Di Russo, Natali V., Estrin, Dario A., Martí, Marcelo A., Roitberg, Adrian E.
Publicerad 2012

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

av Defelipe, Lucas A., Lanzarotti, Esteban, Gauto, Diego, Marti, Marcelo A., Turjanski, Adrián G.
I publikationen PLoS Comput Biol (2015)

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

av Bringas, Mauro, Petruk, Ariel A., Estrin, Darío A., Capece, Luciana, Martí, Marcelo A.
I publikationen Sci Rep (2017)

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

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

Molecular basis for the substrate stereoselectivity in Tryptophan Dioxygenase

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

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

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

Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7

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

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

av Bustamante, Juan P., Radusky, Leandro, Boechi, Leonardo, Estrin, Darío A., ten Have, Arjen, Martí, Marcelo A.
I publikationen PLoS Comput Biol (2016)

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

av Bustamante, Juan P., Szretter, María E., Sued, Mariela, Martí, Marcelo A., Estrin, Darío A., Boechi, Leonardo
I publikationen Bioinformatics (2016)

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

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

TuberQ: a Mycobacterium tuberculosis protein druggability database

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

Solvents to Fragments to Drugs: MD Applications in Drug Design

av Defelipe, Lucas A., Arcon, Juan Pablo, Modenutti, Carlos P., Marti, Marcelo A., Turjanski, Adrián G., Barril, Xavier
I publikationen Molecules (2018)

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

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

Genetics and genomic medicine in Argentina

av Vishnopolska, Sebastián A., Turjanski, Adrián G., Herrera Piñero, Mariana, Groisman, Boris, Liascovich, Rosa, Chiesa, Ana, Marti, Marcelo A.
I publikationen 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

av Petruk, Ariel A., Bartesaghi, Silvina, Trujillo, Madia, Estrin, Darío A., Murgida, Daniel, Kalyanaraman, Balaraman, Marti, Marcelo A., Radi, Rafael
Publicerad 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

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

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

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

Kinase Activation by Small Conformational Changes

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