학술논문
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'학술논문'
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Academic Journal
Nature Chemical Biology. 21(8):1138-1147
Report
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; Tieleman, D. Peter; 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; Wheeler, Travis J.; Wong, Chung F.; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto
Nat Methods (2025)
Academic Journal
Hwang, Wonmuk; Austin, Steven L.; Blondel, Arnaud; Boittier, Eric D.; Boresch, Stefan; Buck, Matthias; Buckner, Joshua; Caflisch, Amedeo; Chang, Hao-Ting; Cheng, Xi; Choi, Yeol Kyo; Chu, Jhih-Wei; Crowley, Michael F.; Cui, Qiang; Damjanovic, Ana; Deng, Yuqing; Devereux, Mike; Ding, Xinqiang; Feig, Michael F.; Gao, Jiali; Glowacki, David R.; Gonzales, James E.; Hamaneh, Mehdi Bagerhi; Harder, Edward D.; Hayes, Ryan L.; Huang, Jing; Huang, Yandong; Hudson, Phillip S.; Im, Wonpil; Islam, Shahidul M.; Jiang, Wei; Jones, Michael R.; Käser, Silvan; Kearns, Fiona L.; Kern, Nathan R.; Klauda, Jeffery B.; Lazaridis, Themis; Lee, Jinhyuk; Lemkul, Justin A.; Liu, Xiaorong; Luo, Yun; MacKerell, Alexander D.; Major, Dan T.; Meuwly, Markus; Nam, Kwangho; Nilsson, Lennart; Ovchinnikov, Victor; Paci, Emanuele; Park, Soohyung; Pastor, Richard W.; Pittman, Amanda R.; Post, Carol Beth; Prasad, Samarjeet; Pu, Jingzhi; Qi, Yifei; Rathinavelan, Thenmalarchelvi; Roe, Daniel R.; Roux, Benoit; Rowley, Christopher N.; Shen, Jana; Simmonett, Andrew C.; Sodt, Alexander J.; Töpfer, Kai; Upadhyay, Meenu; van der Vaart, Arjan; Vazquez-Salazar, Luis Itza; Venable, Richard M.; Warrensford, Luke C.; Woodcock, H. Lee; Wu, Yujin; Brooks, Charles L.; Brooks, Bernard R.; Karplus, Martin
J Phys Chem B
Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), vol 128, iss 41
The Journal of Physical Chemistry B
Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), vol 128, iss 41
The Journal of Physical Chemistry B
Academic Journal
Shah, Sushrut D.; Lind, Christoffer; De Pascali, Francesco; Penn, Raymond B.; MacKerell, Alexander D.; Deshpande, Deepak A.
Proceedings of the National Academy of Sciences of the United States of America, 2022 Dec 01. 119(49), 1-12.
Academic Journal
Tulapurkar, Mohan E. ; Shirey, Kari Ann ; Lugkey, Katerina ; Luo, Wendy ; Lal, Ritu ; Galan, Adam ; Mahmoud, Omar ; McClean, Nathaniel ; Thangaraju, Kiruphagaran ; Cericola, Daniel ; Lewis, Daniel ; Murphy, William A. ; Fletcher, Steven ; MacKerell, Alexander D., Jr ; Vogel, Stefanie N. ; Shapiro, Paul ; Hasday, Jeffrey D.
In The Journal of Pharmacology and Experimental Therapeutics March 2025 392(3)
Academic Journal
Biomolecules. September, 2025, Vol. 15 Issue 9
Academic Journal
Structural Chemistry: Computational and Experimental Studies of Chemical and Biological Systems. December 2001 12(6):465-469
Academic Journal
Orr, Asuka A. ; Uwakweh, Agbo-Oma ; Li, Xun ; Karanji, Ahmad Kiani ; Hoag, Stephen W. ; Deredge, Daniel J. ; MacKerell, Alexander D., Jr.
In Biophysical Journal 18 November 2025 124(22):3876-3894
Academic Journal
In Biophysical Journal October 2025
Academic Journal
Rouen, Kyle C. ; Narang, Kush ; Han, Yanxiao ; Wang, David ; Jang, Ensley ; Brunkow, Sophia ; Yarov-Yarovoy, Vladimir ; MacKerell, Alexander D., Jr. ; Vorobyov, Igor
In Biophysical Journal December 2025
Academic Journal
Weston, Stuart; Baracco, Lauren; Keller, Chloe; Matthews, Krystal; McGrath, Marisa E.; Logue, James; Liang, Janie; Dyall, Julie; Holbrook, Michael R.; Hensley, Lisa E.; Jahrling, Peter B.; Yu, Wenbo; MacKerell, Alexander D.; Frieman, Matthew B.
Proceedings of the National Academy of Sciences of the United States of America, 2020 Dec 01. 117(48), 30687-30698.
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In BBA - General Subjects February 2024 1868(2)
Academic Journal
Xu, Xingjian; Godoy-Ruiz, Raquel; Adipietro, Kaylin A.; Peralta, Christopher; Ben-Hail, Danya; Varney, Kristen M.; Cook, Mary E.; Roth, Braden M.; Wilder, Paul T.; Cleveland, Thomas; Grishaev, Alexander; Neu, Heather M.; Michel, Sarah L. J.; Yu, Wenbo; Beckett, Dorothy; Rustandi, Richard R.; Lancaster, Catherine; Loughney, John W.; Kristopeit, Adam; Christanti, Sianny; Olson, Jessica W.; MacKerell, Alexander D.; des Georges, Amedee; Pozharski, Edwin; Weber, David J.
Proceedings of the National Academy of Sciences of the United States of America, 2020 Jan . 117(2), 1049-1058.
Academic Journal
Donohue, Elizabeth; Khorsand, Sina; Mercado, Gabriel; Varney, Kristen M.; Wilder, Paul T.; Yu, Wenbo; MacKerell, Alexander D.; Alexander, Patrick; Van, Que N.; Moree, Ben; Stephen, Andrew G.; Weber, David J.; Salafsky, Joshua; McCormick, Frank
Proceedings of the National Academy of Sciences of the United States of America, 2019 Aug . 116(35), 17290-17297.
Academic Journal
Journal of Physical Chemistry B. 117(25):7546-7553
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Patel, Dhilon S.; Pendrill, Robert; Mallajosyula, Sairam S.; Widmalm, Göran; MacKerell, Alexander D., Jr.
Journal of Physical Chemistry B. 118(11):2851-2871
Academic Journal
In BBA - General Subjects November 2022 1866(11)
Academic Journal
Lázaro‐Gorines, Rodrigo; Pérez, Patricia; Heras‐Murillo, Ignacio; Adán‐Barrientos, Irene; Albericio, Guillermo; Astorgano, David; Flores, Sara; Luczkowiak, Joanna; Labiod, Nuria; Harwood, Seandean L.; Segura‐Tudela, Alejandro; Rubio‐Pérez, Laura; Nugraha, Yudhi; Shang, Xiaoran; Li, Yuxing; Alfonso, Carlos; Adipietro, Kaylin A.; Abeyawardhane, Dinendra L.; Navarro, Rocío; Compte, Marta; Yu, Wenbo; MacKerell, Alexander D.; Sanz, Laura; Weber, David J.; Blanco, Francisco J.; Esteban, Mariano; Pozharski, Edwin; Godoy‐Ruiz, Raquel; Muñoz, Inés G.; Delgado, Rafael; Sancho, David; García‐Arriaza, Juan; Álvarez‐Vallina, Luis
Adv Sci (Weinh)
Repisalud
Instituto de Salud Carlos III (ISCIII)
Digital.CSIC. Repositorio Institucional del CSIC
Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio Institucional de la Consejería de Sanidad de la Comunidad de Madrid
Consejería de Sanidad de la Comunidad de Madrid
Advanced Science, Vol 10, Iss 34, Pp n/a-n/a (2023)
Lázaro-Gorines, R, Pérez, P, Heras-Murillo, I, Adán-Barrientos, I, Albericio, G, Astorgano,D , Flores, S, Luczkowiak, J, Labiod, N, Harwood, S L, Segura-Tudela, A, Rubio-Pérez, L, Nugraha, Y, Shang, X, Li, Y, Alfonso, C, Adipietro, K A, Abeyawardhane, D L, Navarro, R, Compte, M, Yu, W, MacKerell , A D , Sanz, L, Weber, D J, Blanco, F J, Esteban, M, Pozharski, E, Godoy-Ruiz, R, Muñoz, I G, Delgado, R, Sancho, D , García-Arriaza, J & Álvarez-Vallina, L 2023, 'Dendritic Cell-Mediated Cross-Priming by a Bispecific Neutralizing Antibody Boosts Cytotoxic T Cell Responses and Protects Mice against SARS-CoV-2', Advanced Science, vol. 10, no. 34, 2304818. https://doi.org/10.1002/advs.202304818
Repisalud
Instituto de Salud Carlos III (ISCIII)
Digital.CSIC. Repositorio Institucional del CSIC
Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio Institucional de la Consejería de Sanidad de la Comunidad de Madrid
Consejería de Sanidad de la Comunidad de Madrid
Advanced Science, Vol 10, Iss 34, Pp n/a-n/a (2023)
Lázaro-Gorines, R, Pérez, P, Heras-Murillo, I, Adán-Barrientos, I, Albericio, G, Astorgano,
Academic Journal
Somani, Sandeep ; Jo, Sunhwan ; Thirumangalathu, Renuka ; Rodrigues, Danika ; Tanenbaum, Laura M. ; Amin, Ketan ; MacKerell, Alexander D., Jr. ; Thakkar, Santosh V.
In Journal of Pharmaceutical Sciences March 2021 110(3):1103-1110
Academic Journal
Diethelm-Varela, Benjamin ; Kumar, Anmol ; Lynch, Caitlin ; Imler, Gregory H. ; Deschamps, Jeffrey R. ; Li, Yue ; Xia, Menghang ; MacKerell, Alexander D., Jr. ; Xue, Fengtian
In Tetrahedron 22 January 2021 79
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