학술논문
'학술논문'
에서 검색결과 125건 | 목록
1~10
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; 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
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Report
Evans, Matthew L.; Bergsma, Johan; Merkys, Andrius; Andersen, Casper W.; Andersson, Oskar B.; Beltrán, Daniel; Blokhin, Evgeny; Boland, Tara M.; Balderas, Rubén Castañeda; Choudhary, Kamal; Díaz, Alberto Díaz; García, Rodrigo Domínguez; Eckert, Hagen; Eimre, Kristjan; Montero, María Elena Fuentes; Krajewski, Adam M.; Mortensen, Jens Jørgen; Duarte, José Manuel Nápoles; Pietryga, Jacob; Qi, Ji; Carrillo, Felipe de Jesús Trejo; Vaitkus, Antanas; Yu, Jusong; Zettel, Adam; de Castro, Pedro Baptista; Carlsson, Johan; Cerqueira, Tiago F. T.; Divilov, Simon; Hajiyani, Hamidreza; Hanke, Felix; Jose, Kevin; Oses, Corey; Riebesell, Janosh; Schmidt, Jonathan; Winston, Donald; Xie, Christen; Yang, Xiaoyu; Bonella, Sara; Botti, Silvana; Curtarolo, Stefano; Draxl, Claudia; Cobas, Luis Edmundo Fuentes; Hospital, Adam; Liu, Zi-Kui; Marques, Miguel A. L.; Marzari, Nicola; Morris, Andrew J.; Ong, Shyue Ping; Orozco, Modesto; Persson, Kristin A.; Thygesen, Kristian S.; Wolverton, Chris; Scheidgen, Markus; Toher, Cormac; Conduit, Gareth J.; Pizzi, Giovanni; Gražulis, Saulius; Rignanese, Gian-Marco; Armiento, Rickard
Conference
Ejarque, Jorge; Andrio, Pau; Hospital, Adam; Conejero, Javier; Lezzi, Daniele; Gelpi, Josep LL.; Badia, Rosa M.
2022 IEEE 18th International Conference on e-Science (e-Science) ESCIENCE e-Science (e-Science), 2022 IEEE 18th International Conference on. :357-366 Oct, 2022
Academic Journal
Nucleic Acids Research; 1/5/2024, Vol. 52 Issue D1, pD393-D403, 11p
Academic Journal
Biophysical Reviews; Jun2024, Vol. 16 Issue 3, p269-271, 3p
Academic Journal
Journal of Chemical Information & Modeling; 8/28/2023, Vol. 63 Issue 16, p5259-5271, 13p
Academic Journal
Suriñach, Aristarc; Hospital, Adam; Westermaier, Yvonne; Jordà, Luis; Orozco-Ruiz, Sergi; Beltrán, Daniel; Colizzi, Francesco; Andrio, Pau; Soliva, Robert; Municoy, Martí; Gelpí, Josep Lluís; Orozco, Modesto
Journal of Chemical Information & Modeling; 1/9/2023, Vol. 63 Issue 1, p321-334, 14p
Academic Journal
Wieczór, Miłosz; Genna, Vito; Aranda, Juan; Badia, Rosa M.; Gelpí, Josep Lluís; Gapsys, Vytautas; de Groot, Bert L.; Lindahl, Erik; Municoy, Martí; Hospital, Adam; Orozco, Modesto
WIREs: Computational Molecular Science; Jan/Feb2023, Vol. 13 Issue 1, p1-25, 25p
Academic Journal
Orellana, Laura; Thorne, Amy H; Lema, Rafael; Gustavsson, Johan; Parisian, Alison D; Hospital, Adam; Cordeiro, Tiago N; Bernadó, Pau; Scott, Andrew M; Brun-Heath, Isabelle; Lindahl, Erik; Cavenee, Webster K; Furnari, Frank B; Orozco, Modesto
Proceedings of the National Academy of Sciences of the United States of America. 116(20)
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