CG2AA: backmapping protein coarse-grained structures von Lombardi, Leandro E, Martí, Marcelo A, Capece, Luciana

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Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase von Modenutti, Carlos P., Blanco Capurro, Juan I., Ibba, Roberta, Alonzi, Dominic S., Song, Mauro N., Vasiljević, Snežana, Kumar, Abhinav, Chandran, Anu V., Tax, Gabor, Marti, Lucia, Hill, Johan C., Lia, Andrea, Hensen, Mario, Waksman, Thomas, Rushton, Jonathan, Rubichi, Simone, Santino, Angelo, Martí, Marcelo A., Zitzmann, Nicole, Roversi, Pietro

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AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions von Arcon, Juan Pablo, Modenutti, Carlos P, Avendaño, Demian, Lopez, Elias D, Defelipe, Lucas A, Ambrosio, Francesca Alessandra, Turjanski, Adrian G, Forli, Stefano, Marti, Marcelo A

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Underlying Thermodynamics of pH-Dependent Allostery von Di Russo, Natali V, Martí, Marcelo A, Roitberg, Adrian E

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High-throughput splicing assays identify missense and silent splice-disruptive POU1F1 variants underlying pituitary hormone deficiency von Gergics, Peter, Smith, Cathy, Bando, Hironori, Jorge, Alexander A.L., Rockstroh-Lippold, Denise, Vishnopolska, Sebastian A., Castinetti, Frederic, Maksutova, Mariam, Carvalho, Luciani Renata Silveira, Hoppmann, Julia, Martínez Mayer, Julián, Albarel, Frédérique, Braslavsky, Debora, Keselman, Ana, Bergadá, Ignacio, Martí, Marcelo A., Saveanu, Alexandru, Barlier, Anne, Abou Jamra, Rami, Guo, Michael H., Dauber, Andrew, Nakaguma, Marilena, Mendonca, Berenice B., Jayakody, Sajini N., Ozel, A. Bilge, Fang, Qing, Ma, Qianyi, Li, Jun Z., Brue, Thierry, Pérez Millán, María Ines, Arnhold, Ivo J.P., Pfaeffle, Roland, Kitzman, Jacob O., Camper, Sally A.

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Biased Docking for Protein–Ligand Pose Prediction von Arcon, Juan Pablo, Turjanski, Adrián G., Martí, Marcelo A., Forli, Stefano

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Aromatic clusters in protein–protein and protein–drug complexes von Lanzarotti, Esteban, Defelipe, Lucas A., Marti, Marcelo A., Turjanski, Adrián G.

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Local energetic frustration conservation in protein families and superfamilies von Freiberger, Maria I., Ruiz-Serra, Victoria, Pontes, Camila, Romero-Durana, Miguel, Galaz-Davison, Pablo, Ramírez-Sarmiento, Cesar A., Schuster, Claudio D., Marti, Marcelo A., Wolynes, Peter G., Ferreiro, Diego U., Parra, R. Gonzalo, Valencia, Alfonso

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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

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LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening von Radusky, Leandro, Ruiz-Carmona, Sergio, Modenutti, Carlos, Barril, Xavier, Turjanski, Adrian G, Martí, Marcelo A

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Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening von Arcon, Juan Pablo, Defelipe, Lucas A, Lopez, Elias D, Burastero, Osvaldo, Modenutti, Carlos P, Barril, Xavier, Marti, Marcelo A, Turjanski, Adrian G

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An optimized methodology for whole genome sequencing of RNA respiratory viruses from nasopharyngeal aspirates von Goya, Stephanie, Valinotto, Laura E, Tittarelli, Estefania, Rojo, Gabriel L, Nabaes Jodar, Mercedes S, Greninger, Alexander L, Zaiat, Jonathan J, Marti, Marcelo A, Mistchenko, Alicia S, Viegas, Mariana

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Aromatic–Aromatic Interactions in Proteins: Beyond the Dimer von Lanzarotti, Esteban, Biekofsky, Rolf R, Estrin, Darío A, Marti, Marcelo A, Turjanski, Adrián G

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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

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Reactive nitrogen and oxygen species: Friend or foe in the tuberculosis fight von Galizia, Jordana, Martí, Marcelo A.

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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

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Evidence for a ferryl intermediate in a heme-based dioxygenase von Lewis-Ballester, Ariel, Batabyal, Dipanwita, Egawa, Tsuyoshi, Lu, Changyuan, Lin, Yu, Marti, Marcelo A, Capece, Luciana, Estrin, Dario A, Yeh, Syun-Ru

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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

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Knockout mice with pituitary malformations help identify human cases of hypopituitarism von Martinez-Mayer, Julian, Brinkmeier, Michelle L, O'Connell, Sean P, Ukagwu, Arnold, Marti, Marcelo A, Miras, Mirta, Forclaz, Maria V, Benzrihen, Maria G, Cheung, Leonard Y M, Camper, Sally A, Ellsworth, Buffy S, Raetzman, Lori T, Pérez-Millán, Maria I, Davis, Shannon W

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QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis von Dumas, Victoria G., Defelipe, Lucas A., Petruk, Ariel A., Turjanski, Adrian G., Marti, Marcelo A.

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