Advances in enhanced sampling along adaptive paths of collective variables von Pérez de Alba Ortíz, A., Tiwari, A., Puthenkalathil, R. C., Ensing, B.

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Strong Reduction of the Chain Rigidity of Hyaluronan by Selective Binding of Ca2+ Ions von Giubertoni, G, Pérez de Alba Ortíz, A, Bano, F, Zhang, X, Linhardt, RJ, Green, DE, DeAngelis, PL, Koenderink, GH, Richter, RP, Ensing, B, Bakker, HJ

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UCHH-01-11VW Client Data Table and Stats.xlsx von Patry, Christian, Plotnicki, Kathrin, Betzen, Christian, A. Perez De Alba Ortiz, Pappan, Kirk L., Satchell, Simon C., Mathieson, Peter W., Bielaszewska, Martina, Karch, Helge, Toenshoff, Burkhard, Neysan Rafat

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Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks von Hooft, Ferry, Pérez de Alba Ortíz, Alberto, Ensing, Bernd

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Sequence dependence of transient Hoogsteen base pairing in DNA von Pérez de Alba Ortíz, Alberto, Vreede, Jocelyne, Ensing, Bernd

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The bcc coating of Lennard-Jones crystal nuclei vanishes with a change of local structure detection algorithm von Gispen, Willem, Pérez de Alba Ortíz, Alberto, Dijkstra, Marjolein

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Sequelae, persistent symptomatology and outcomes after COVID-19 hospitalization: the ANCOHVID multicentre 6-month follow-up study von Romero-Duarte, Álvaro, Rivera-Izquierdo, Mario, Guerrero-Fernández de Alba, Inmaculada, Pérez-Contreras, Marina, Fernández-Martínez, Nicolás Francisco, Ruiz-Montero, Rafael, Serrano-Ortiz, Álvaro, González-Serna, Rocío Ortiz, Salcedo-Leal, Inmaculada, Jiménez-Mejías, Eladio, Cárdenas-Cruz, Antonio

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Atomistic insight into the kinetic pathways for Watson–Crick to Hoogsteen transitions in DNA von Vreede, Jocelyne, Pérez de Alba Ortíz, Alberto, Bolhuis, Peter G, Swenson, David W H

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Enhanced sampling strategies for molecular simulation of DNA von Mohr, Bernadette, Heesch, Thor, Pérez de Alba Ortíz, Alberto, Vreede, Jocelyne

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Strong Reduction of the Chain Rigidity of Hyaluronan by Selective Binding of Ca2+ Ions von Giubertoni, Giulia, Pérez de Alba Ortíz, Alberto, Bano, Fouzia, Zhang, Xing, Linhardt, Robert J, Green, Dixy E, DeAngelis, Paul L, Koenderink, Gijsje H, Richter, Ralf P, Ensing, Bernd, Bakker, Huib J

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Peptide Side-COOH Groups Have Two Distinct Conformations under Biorelevant Conditions von Sofronov, Oleksandr O, Giubertoni, Giulia, Pérez de Alba Ortíz, Alberto, Ensing, Bernd, Bakker, Huib J

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Inverse design of crystals and quasicrystals in a non-additive binary mixture of hard disks von Bedolla-Montiel, Edwin A., Lange, Jochem T., Pérez de Alba Ortíz, Alberto, Dijkstra, Marjolein

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The Adaptive Path Collective Variable: A Versatile Biasing Approach to Compute the Average Transition Path and Free Energy of Molecular Transitions von Pérez de Alba Ortíz, Alberto, Vreede, Jocelyne, Ensing, Bernd

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Impact of the COVID-19 pandemic on HIV care in Guatemala von Medina, Narda, Alastruey-Izquierdo, Ana, Bonilla, Oscar, Ortíz, Brenan, Gamboa, Osmar, Salazar, Luis Roberto, Mercado, Danicela, Pérez, Juan C., Denning, David W., Arathoon, Eduardo, Rodriguez-Tudela, Juan Luis, Pérez, Oscar Eduardo López, Barrientos, Brenan Ortiz, Muñoz, Vilma Alejandrina Reyes, Aguilar, Gladys Sajché, Andrade, Aura Marina Méndez, Marina de León, Luis Roberto Santa, Alcázar, Ana Lucía Gómez, González, Eduardo Celada, Quiñónez M, Gustavo A., Sontay, Germán Orlando Cuyuch, Marín, Alba Virtud Contreras, de Lourdes Fong Araujo, María, Guzmán, Brenda

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Deploying unsupervised clustering analysis to derive clinical phenotypes and risk factors associated with mortality risk in 2022 critically ill patients with COVID-19 in Spain von Rodríguez, Alejandro, Ruiz-Botella, Manuel, Martín-Loeches, Ignacio, Jimenez Herrera, María, Solé-Violan, Jordi, Gómez, Josep, Bodí, María, Trefler, Sandra, Papiol, Elisabeth, Díaz, Emili, Suberviola, Borja, Vallverdu, Montserrat, Mayor-Vázquez, Eric, Albaya Moreno, Antonio, Canabal Berlanga, Alfonso, Sánchez, Miguel, Del Valle Ortíz, María, Ballesteros, Juan Carlos, Martín Iglesias, Lorena, Marín-Corral, Judith, López Ramos, Esther, Hidalgo Valverde, Virginia, Vidaur Tello, Loreto Vidaur, Sancho Chinesta, Susana, Gonzáles de Molina, Francisco Javier, Herrero García, Sandra, Sena Pérez, Carmen Carolina, Pozo Laderas, Juan Carlos, Rodríguez García, Raquel, Estella, Angel, Ferrer, Ricard

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Strong Reduction of the Chain Rigidity of Hyaluronan by Selective Binding of Ca 2+ Ions von Giubertoni, Giulia, Pérez de Alba Ortíz, Alberto, Bano, Fouzia, Zhang, Xing, Linhardt, Robert J, Green, Dixy E, DeAngelis, Paul L, Koenderink, Gijsje H, Richter, Ralf P, Ensing, Bernd, Bakker, Huib J

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An educational intervention to reduce the incidence of postoperative residual curarisation: a cluster randomised crossover trial in patients undergoing general anaesthesia von Díaz-Cambronero, Óscar, Mazzinari, Guido, Errando, Carlos L., Garutti, Ignacio, Gurumeta, Alfredo A., Serrano, Ana B., Esteve, Neus, Montañes, Maria V., Neto, Ary S., Hollmann, Markus W., Schultz, Marcus J., Argente Navarro, Maria P., Pérez, María del Pino Heredia, Núñez, Victoria Carvajal, Linero, Inmaculada Benítez, Aparicio, María del Pilar García, Miguel González de la Mata, Alba María, Marín, Alejandro Martínez, Mora Fernández, Luis Carlos, Robles, Ana Ferrer, González, David Fabián, Gil, Marta Mariscal, Romero, Germán Gómez, Montero, Begoña Ayas, Alberola Estellés, María José, Jaén, Salomé Matoses, Ortolá, Carlos Ferrando, Vargas, Esther Romero, Jaramago, Julia Martín, Mataix, Javier Barrio, Gonzalez, Estefanía Martínez, Sanus, Alma Casasempere, Fas Vicent, María José, Ortega, Juan, Pallardó López, María Angeles, Chornet, María Rosselló, Hernández, Alicia Sánchez, García Belmonte, José Pedro, Marcelino Martín, Miguel Ángel, Rodríguez Domínguez, Montserrat Noelia, Becerra-Bolaños, Ángel, Trujillo-Morales, Héctor, Palacín, Rebeca Pascual, Bartolomé Pacheco, María José, Pérez, Osvaldo, Rabago, José Luis, Caral, Pere Vila, Fernández Cortes, Ana Isabel, Milán, Marta Caballero, García, Lourdes Pérez, Alsina, Carme Subirà, Grauwinkel, Cassandra Gimeno, López González, José Manuel, Jiménez Gómez, Bárbara María, Gasalla Cadórniga, Alvaro Manuel, González, Iván Areán, Gil Campelo, María Ángeles, Solores, Felix Lobato, Santiago, Ana Crespo, Ortíz, Alvaro Elicegui, García, Isabel Gómez, Perote, Lara Castellanos, Murillo, Miguel Miró, Rueda, Fernando Ramasco, Roca, Antonio Planas, Irujo, Javier Ariño, Elguezábal, Pedro de la Calle, Palacios, Raúl Villalba, Saavedra, Bárbara, Learte, Mar Establés, López, Sandra Gadín, González, Rosa Sanz, Melchor, Javier Ripollés, Hurtado, Eugenio Martínez, Abad-Motos, Ane, López, María Uribarri, Martínez, Cristina Miguel

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Sex Differences and Predictors of In-Hospital Mortality among Patients with COVID-19: Results from the ANCOHVID Multicentre Study von Fernández-Martínez, Nicolás Francisco, Ortiz-González-Serna, Rocío, Serrano-Ortiz, Álvaro, Rivera-Izquierdo, Mario, Ruiz-Montero, Rafael, Pérez-Contreras, Marina, Guerrero-Fernández de Alba, Inmaculada, Romero-Duarte, Álvaro, Salcedo-Leal, Inmaculada

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Frontiers in Multiscale Modeling of Photoreceptor Proteins von Mroginski, Maria‐Andrea, Adam, Suliman, Amoyal, Gil S., Barnoy, Avishai, Bondar, Ana‐Nicoleta, Borin, Veniamin A., Church, Jonathan R., Domratcheva, Tatiana, Ensing, Bernd, Fanelli, Francesca, Ferré, Nicolas, Filiba, Ofer, Pedraza‐González, Laura, González, Ronald, González‐Espinoza, Cristina E., Kar, Rajiv K., Kemmler, Lukas, Kim, Seung Soo, Kongsted, Jacob, Krylov, Anna I., Lahav, Yigal, Lazaratos, Michalis, NasserEddin, Qays, Navizet, Isabelle, Nemukhin, Alexander, Olivucci, Massimo, Olsen, Jógvan Magnus Haugaard, Pérez de Alba Ortíz, Alberto, Pieri, Elisa, Rao, Aditya G., Rhee, Young Min, Ricardi, Niccolò, Sen, Saumik, Solov'yov, Ilia A., De Vico, Luca, Wesolowski, Tomasz A., Wiebeler, Christian, Yang, Xuchun, Schapiro, Igor

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Phosphorylation disrupts long-distance electron transport in cytochrome c von Gomila, Alexandre M. J., Pérez-Mejías, Gonzalo, Nin-Hill, Alba, Guerra-Castellano, Alejandra, Casas-Ferrer, Laura, Ortiz-Tescari, Sthefany, Díaz-Quintana, Antonio, Samitier, Josep, Rovira, Carme, De la Rosa, Miguel A., Díaz-Moreno, Irene, Gorostiza, Pau, Giannotti, Marina I., Lagunas, Anna

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