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 2012

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 2017

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 2016

Possible molecular basis of the biochemical effects of cysteine-derived persulfides

por Cuevasanta, Ernesto, Benchoam, Dayana, Semelak, Jonathan A., Möller, Matías N., Zeida, Ari, Trujillo, Madia, Alvarez, Beatriz, Estrin, Darío A.
Publicado 2022

Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N

por Oliveira, Ana, Singh, Sandeep, Bidon-Chanal, Axel, Forti, Flavio, Martí, Marcelo A., Boechi, Leonardo, Estrin, Dario A., Dikshit, Kanak L., Luque, F. Javier
Publicado 2012

Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code

por Marcolongo, Juan P., Zeida, Ari, Semelak, Jonathan A., Foglia, Nicolás O., Morzan, Uriel N., Estrin, Dario A., González Lebrero, Mariano C., Scherlis, Damián A.
Publicado 2018

Insights into the product release mechanism of dengue virus NS3 helicase

por Adler, Natalia S, Cababie, Leila A, Sarto, Carolina, Cavasotto, Claudio N, Gebhard, Leopoldo G, Estrin, Darío A, Gamarnik, Andrea V, Arrar, Mehrnoosh, Kaufman, Sergio B
Publicado 2022

Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca

por Marcelli, Agnese, Abbruzzetti, Stefania, Bustamante, Juan Pablo, Feis, Alessandro, Bonamore, Alessandra, Boffi, Alberto, Gellini, Cristina, Salvi, Pier Remigio, Estrin, Dario A., Bruno, Stefano, Viappiani, Cristiano, Foggi, Paolo
Publicado 2012

Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules

por Boron, Ignacio, Bustamante, Juan Pablo, Davidge, Kelly S, Singh, Sandip, Bowman, Lesley AH, Tinajero-Trejo, Mariana, Carballal, Sebastián, Radi, Rafael, Poole, Robert K, Dikshit, Kanak, Estrin, Dario A, Marti, Marcelo A, Boechi, Leonardo
Publicado 2015

Mycobacterium tuberculosis DosS binds H(2)S through its Fe(3+) heme iron to regulate the DosR dormancy regulon

por Sevalkar, Ritesh R., Glasgow, Joel N., Pettinati, Martín, Marti, Marcelo A., Reddy, Vineel P., Basu, Swati, Alipour, Elmira, Kim-Shapiro, Daniel B., Estrin, Dario A., Lancaster, Jack R., Steyn, Adrie J.C.
Publicado 2022

The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter

por Mirón, Gonzalo Díaz, Semelak, Jonathan A., Grisanti, Luca, Rodriguez, Alex, Conti, Irene, Stella, Martina, Velusamy, Jayaramakrishnan, Seriani, Nicola, Došlić, Nadja, Rivalta, Ivan, Garavelli, Marco, Estrin, Dario A., Kaminski Schierle, Gabriele S., González Lebrero, Mariano C., Hassanali, Ali, Morzan, Uriel N.
Publicado 2023