학술논문
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Amaro, Rommie; Åqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip C.; Bonomi, Massimiliano; Bowman, Gregory R.; Bryce, Richard; Bussi, Giovanni; Carloni, Paolo; Case, David; Cavalli, Andrea; Chang, Chie-En A.; Cheatham III, Thomas E.; Cheung, Margaret S.; Chipot, Cris; Chong, Lillian T.; Choudhary, Preeti; Cisneros, Gerardo Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T. Daniel; Peraro, Matteo Dal; de Groot, Bert; Delemotte, Lucie; De Vivo, Marco; Essex, Jonathan; Fraternali, Franca; Gao, Jiali; Gelpí, Josep Lluís; Gervasio, Francesco Luigi; Gonzalez-Nilo, Fernando Danilo; Grubmüller, Helmut; Guenza, Marina; Guzman, Horacio V.; Harris, Sarah; Head-Gordon, Teresa; Hernandez, Rigoberto; Hospital, Adam; Huang, Niu; Huang, Xuhui; Hummer, Gerhard; Iglesias-Fernández, Javier; Jensen, Jan H.; Jha, Shantenu; Jiao, Wanting; Jorgensen, William L.; Kamerlin, Shina Caroline Lynn; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun Lyna; Luque, Francisco Javier; Lynch, Charlotte I.; MacKerell, Alexander; Magistrato, Alessandra; Marrink, Siewert J.; Martin, Hugh; McCammon, J. Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian; Murad, Sohail; Naganathan, Athi N.; Nangia, Shikha; Noe, Frank; Noy, Agnes; Oláh, Julianna; O'Mara, Megan; Ondrechen, Mary Jo; Onuchic, José N.; Onufriev, Alexey; Osuna, Silvia; Panchenko, Anna R.; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan R.; Pettitt, B. Montgomery; Pietropalo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo; Praprotnik, Matej; Ramos, Maria J.; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Röthlisberger, Ursula; Sanbonmatsu, Karissa Y.; Schlick, Tamar; Shaytan, Alexey K.; Simmerling, Carlos; Smith, Jeremy C.; Sugita, Yuji; Świderek, Katarzyna; Taiji, Makoto; Tao, Peng; Tikhonova, Irina G.; Tirado-Rives, Julian; Tunón, Inaki; Van Der Kamp, Marc W.; Van der Spoel, David; Velankar, Sameer; Voth, Gregory A.; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey; Wong, Chung F.; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto
Academic Journal
Velázquez‐Libera, José Luis; Caballero, Julio; Alzate‐Morales, Jans; Ruiz‐Pernía, J. Javier; Tuñón, Iñaki
Academic Journal
In European Journal of Medicinal Chemistry 1 May 2019 169:159-167
A molecular dynamics study on the role of the protonation state in the biosynthesis of R-PAC by AHAS
Academic Journal
Alvarado, Omar; García-Meseguer, Rafael; Javier Ruiz-Pernía, José; Tuñon, Iñaki; Delgado, Eduardo J.
In Chemical Physics Letters February 2019 716:247-251
Academic Journal
Academic Journal
Zinovjev, Kirill; Hedges, Lester; Montagud Andreu, Rubén; Woods, Christopher; Tuñón, Iñaki; van der Kamp, Marc W.
Journal of Chemical Theory & Computation; 6/11/2024, Vol. 20 Issue 11, p4514-4522, 9p
Academic Journal
Velázquez-Libera, José Luis; Caballero, Julio; Alzate-Morales, Jans; Ruiz-Pernía, J. Javier; Tuñón, Iñaki
Journal of Chemical Information & Modeling; 5/27/2024, Vol. 64 Issue 10, p4134-4148, 15p
Academic Journal
Journal of the American Chemical Society; 5/22/2024, Vol. 146 Issue 20, p14213-14224, 12p
Academic Journal
Blanco-Esperguez, Kevin; Tuñón, Iñaki; Kästner, Johannes; Mendizábal, Fernando; Miranda-Rojas, Sebastián
Academic Journal
Zinovjev, Kirill; Guénon, Paul; Ramos-Guzmán, Carlos A.; Ruiz-Pernía, J. Javier; Laage, Damien; Tuñón, Iñaki
Nature Communications; 3/20/2024, Vol. 15 Issue 1, p1-12, 12p
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[AR] Tuñón, Iñaki
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