pH-Dependent conformational changes in proteins and their effect on experimental pK(a)s: the case of Nitrophorin 4. by Natali V Di Russo, Dario A Estrin, Marcelo A Martí, Adrian E Roitberg

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Role of PheE15 gate in ligand entry and nitric oxide detoxification function of mycobacterium tuberculosis truncated hemoglobin N. by Ana Oliveira, Sandeep Singh, Axel Bidon-Chanal, Flavio Forti, Marcelo A Martí, Leonardo Boechi, Dario A Estrin, Kanak L Dikshit, F Javier Luque

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Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code by Juan P. Marcolongo, Ari Zeida, Ari Zeida, Jonathan A. Semelak, Nicolás O. Foglia, Uriel N. Morzan, Dario A. Estrin, Mariano C. González Lebrero, Damián A. Scherlis

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Following ligand migration pathways from picoseconds to milliseconds in type II truncated hemoglobin from Thermobifida fusca. by Agnese Marcelli, Stefania Abbruzzetti, Juan Pablo Bustamante, Alessandro Feis, Alessandra Bonamore, Alberto Boffi, Cristina Gellini, Pier Remigio Salvi, Dario A Estrin, Stefano Bruno, Cristiano Viappiani, Paolo Foggi

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Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules [version 2; referees: 2 approved] by Ignacio Boron, Juan Pablo Bustamante, Kelly S Davidge, Sandip Singh, Lesley AH Bowman, Mariana Tinajero-Trejo, Sebastián Carballal, Rafael Radi, Robert K Poole, Kanak Dikshit, Dario A Estrin, Marcelo A Marti, Leonardo Boechi

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Mycobacterium tuberculosis DosS binds H2S through its Fe3+ heme iron to regulate the DosR dormancy regulon by Ritesh R. Sevalkar, Joel N. Glasgow, Martín Pettinati, Marcelo A. Marti, Vineel P. Reddy, Swati Basu, Elmira Alipour, Daniel B. Kim-Shapiro, Dario A. Estrin, Jack R. Lancaster, Jr., Adrie J.C. Steyn

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Possible molecular basis of the biochemical effects of cysteine-derived persulfides by Ernesto Cuevasanta, Ernesto Cuevasanta, Ernesto Cuevasanta, Dayana Benchoam, Dayana Benchoam, Dayana Benchoam, Jonathan A. Semelak, Matías N. Möller, Matías N. Möller, Ari Zeida, Ari Zeida, Madia Trujillo, Madia Trujillo, Beatriz Alvarez, Beatriz Alvarez, Darío A. Estrin

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The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter by Gonzalo Díaz Mirón, Jonathan A. Semelak, Luca Grisanti, Alex Rodriguez, Irene Conti, Martina Stella, Jayaramakrishnan Velusamy, Nicola Seriani, Nadja Došlić, Ivan Rivalta, Marco Garavelli, Dario A. Estrin, Gabriele S. Kaminski Schierle, Mariano C. González Lebrero, Ali Hassanali, Uriel N. Morzan

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