학술논문
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'학술논문'
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Academic Journal
Pau Nadal Rodríguez; Frederick Hartung; Marina Pedrola; Seemon Coomar; Alejandro Diaz-Moreno; Anna M. Hätälä; Katharina M. Rolfes; Ismael Sánchez-Vera; Joan Gil; Elies Molins; Antonio Viayna; Alexander Hanzl; Nicolas H. Thomä; Thomas Haarmann-Stemmann; F. Javier Luque; Rodolfo Lavilla; Ouldouz Ghashghaei
ACS Cent Sci
Articles publicats en revistes (Farmacologia, Toxicologia i Química Terapèutica)
Dipòsit Digital de la UB
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Digital.CSIC. Repositorio Institucional del CSIC
Consejo Superior de Investigaciones Científicas (CSIC)
ACS Central Science, Vol 11, Iss 4, Pp 629-641 (2025)
Articles publicats en revistes (Farmacologia, Toxicologia i Química Terapèutica)
Dipòsit Digital de la UB
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Digital.CSIC. Repositorio Institucional del CSIC
Consejo Superior de Investigaciones Científicas (CSIC)
ACS Central Science, Vol 11, Iss 4, Pp 629-641 (2025)
Academic Journal
Amaro, Rommie; Åqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip; Bonomi, Massimiliano; Bowman, Gregory; Bryce, Richard; Bussi, Giovanni; Carloni, Paolo; Case, David; Cavalli, Andrea; Chang, Chia-En; Cheatham, Thomas; Cheung, Margaret; Chipot, Christophe; Chong, Lillian; Choudhary, Preeti; Cisneros, G. Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T. Daniel; Dal Peraro, Matteo; de Groot, Bert; Delemotte, Lucie; de Vivo, Marco; Essex, Jonathan; Fraternali, Franca; Gao, Jiali; Gelpí, Josep Ll.; Gervasio, Francesco; González-Nilo, Fernando; Grubmüller, Helmut; Guenza, Marina; Guzman, Horacio; Harris, Sarah; Head-Gordon, Teresa; Hernandez, Rigoberto; Hospital, Adam; Huang, Niu; Huang, Xuhui; Hummer, Gerhard; Iglesias-Fernández, Javier; Jensen, Jan; Jha, Shantenu; Jiao, Wanting; Jorgensen, William; Kamerlin, Shina; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun; Luque, F. Javier; Lynch, Charlotte; Mackerell, Alexander; Magistrato, Alessandra; Marrink, Siewert; Martin, Hugh; Mccammon, J. Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian; Murad, Sohail; Naganathan, Athi; Nangia, Shikha; Noe, Frank; Noy, Agnes; Oláh, Julianna; O’mara, Megan; Ondrechen, Mary Jo; Onuchic, Jose; Onufriev, Alexey; Osuna, Sílvia; Palermo, Giulia; Panchenko, Anna; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan; Pettitt, B. Montgomery; Pietropaolo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo; Praprotnik, Matej; Ramos, Maria; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Röthlisberger, Ursula; Sanbonmatsu, Karissa; Schlick, Tamar; Shaytan, Alexey; Simmerling, Carlos; Smith, Jeremy; Sugita, Yuji; Świderek, Katarzyna; Taiji, Makoto; Tao, Peng; Tieleman, D. Peter; Tikhonova, Irina; Tirado-Rives, Julian; Tuñón, Iñaki; van der Kamp, Marc; van der Spoel, David; Velankar, Sameer; Voth, Gregory; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey; Wheeler, Travis; Wong, Chung; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto
Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)
Dipòsit Digital de la UB
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Amaro, R E, Åqvist, J, Bahar, I, Battistini,F , Bellaiche, A, Beltran, D, Biggin, P C, Bonomi, M, Bowman, G R, Bryce, R A, Bussi, G, Carloni, P, Case, D A, Cavalli, A, Chang, C-E A, Cheatham, T E, Cheung, M S, Chipot, C, Chong, L T, Choudhary, P, Cisneros, G A, Clementi, C, Collepardo-Guevara, R, Coveney, P, Covino, R, Crawford, T D, Dal Peraro, M, de Groot, B L, Delemotte, L, De Vivo, M, Essex, J W, Fraternali, F , Gao, J, Gelpí, J L, Gervasio, F L, González-Nilo, F D, Grubmüller, H, Guenza, M G, Guzman, H V, Harris, S, Head-Gordon, T, Hernandez, R, Hospital, A, Huang, N, Huang, X, Hummer, G, Iglesias-Fernández, J, Jensen, J H, Jha, S, Jiao, W, Jorgensen, W L, Kamerlin, S C L, Khalid, S, Laughton, C, Levitt, M, Limongelli, V, Lindahl, E, Lindorff-Larsen, K, Loverde, S, Lundborg, M, Luo, Y L, Luque , F J, Lynch, C I, MacKerell, A D, Magistrato, A, Marrink, S J, Martin, H, McCammon, J A, Merz, K, Moliner, V, Mulholland, A J, Murad, S, Naganathan, A N, Nangia, S, Noe, F , Noy, A, Oláh, J, O'Mara, M L, Ondrechen, M J, Onuchic, J N, Onufriev, A, Osuna, S, Palermo, G, Panchenko, A R, Pantano, S, Parish, C, Parrinello, M, Perez, A, Perez-Acle, T, Perilla, J R, Pettitt, B M, Pietropaolo, A, Piquemal, J-P, Poma, A B, Praprotnik, M, Ramos, M J, Ren, P, Reuter, N, Roitberg, A, Rosta, E, Rovira, C, Roux, B, Rothlisberger, U, Sanbonmatsu, K Y, Schlick, T, Shaytan, A K, Simmerling, C, Smith, J C, Sugita, Y, Świderek, K, Taiji, M, Tao, P, Tieleman, D P, Tikhonova, I G, Tirado-Rives, J, Tuñón, I, van der Kamp, M W, van der Spoel, D, Velankar, S, Voth, G A, Wade, R, Warshel, A, Welborn, V V, Wetmore, S D, Wheeler, T J, Wong, C F , Yang, L-W, Zacharias, M & Orozco, M 2025, 'The need to implement FAIR principles in biomolecular simulations', Nature Methods, vol. 22, no. 4, 268, pp. 641-645. https://doi.org/10.1038/s41592-025-02635-0
Nature Methods
Dipòsit Digital de la UB
instname
Amaro, R E, Åqvist, J, Bahar, I, Battistini,
Nature Methods
Academic Journal
Álvarez-Berbel, Irene ; Llabrés, Salomé ; Domènech, Òscar ; Busquets, Maria Antònia ; Fernàndez-Busquets, Xavier ; Arce, Elsa M. ; Gavín, Rosalina ; del Río, José Antonio ; Muñoz-Torrero, Diego ; Luque, F. Javier ; Sabate, Raimon ; Espargaró, Alba
In Bioorganic & Medicinal Chemistry 1 June 2025 123
Academic Journal
Begoña Alburquerque-González; Manuel Bernabé-García; Silvia Montoro-García; Ángel Bernabé-García; Priscila Campioni Rodrigues; Javier Ruiz Sanz; Fernando F. López-Calderón; Irene Luque; Francisco José Nicolas; María Luisa Cayuela; Tuula Salo; Horacio Pérez-Sánchez; Pablo Conesa-Zamora
Experimental and Molecular Medicine, 52(0), pp.1-12 Feb, 2020
Conference
Martin-Vega, F. Javier; Delgado-Luque, Isabel M.; Blanquez-Casado, F.; Gomez, Gerardo; Aguayo-Torres, Mari Carmen; Entrambasaguas, J. Tomas
2013 IEEE 78th Vehicular Technology Conference (VTC Fall) Vehicular Technology Conference (VTC Fall), 2013 IEEE 78th. :1-5 Sep, 2013
Conference
Lopez-Vazquez, Francisco Javier; Alonso Guerrero-Osuna, Hector; Nava-Pintor, Jesus Antonio; Alberto Olvera-Olvera, Carlos; Diaz-Florez, German; Luque Vega, Luis F.
2024 IEEE International Autumn Meeting on Power, Electronics and Computing (ROPEC) Power, Electronics and Computing (ROPEC), 2024 IEEE International Autumn Meeting on. 8:1-7 Nov, 2024
Report
Goffo, Elisa; Gandolfi, Davide; Egger, Jo Ann; Mustill, Alexander J.; Albrecht, Simon H.; Hirano, Teruyuki; Kochukhov, Oleg; Astudillo-Defru, Nicola; Barragan, Oscar; Serrano, Luisa M.; Hatzes, Artie P.; Alibert, Yann; Guenther, Eike; Dai, Fei; Lam, Kristine W. F.; Csizmadia, Szilárd; Smith, Alexis M. S.; Fossati, Luca; Luque, Rafael; Rodler, Florian; Winther, Mark L.; Rørsted, Jakob L.; Alarcon, Javier; Bonfils, Xavier; Cochran, William D.; Deeg, Hans J.; Jenkins, Jon M.; Korth, Judith; Livingston, John H.; Meech, Annabella; Murgas, Felipe; Orell-Miquel, Jaume; Osborne, Hannah L. M.; Palle, Enric; Persson, Carina M.; Redfield, Seth; Ricker, George R.; Seager, Sara; Vanderspek, Roland; Van Eylen, Vincent; Winn, Joshua N.
ApJL 955 L3 (2023)
Academic Journal
Medel-Lacruz, Brian; Herrero, Albert; Martín, Fernando; Herrero, Enric; Luque, F. Javier; Vázquez, Javier
Academic Journal
Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 38(1)
Academic Journal
Basagni, Filippo; Naldi, Marina; Ginex, Tiziana; Luque, F Javier; Fagiani, Francesca; Lanni, Cristina; Iurlo, Matteo; Marcaccio, Massimo; Minarini, Anna; Bartolini, Manuela; Rosini, Michela
ACS Med Chem Lett
Report
Serrano, Luisa Maria; Gandolfi, Davide; Mustill, Alexander J.; Barragán, Oscar; Korth, Judith; Dai, Fei; Redfield, Seth; Fridlund, Malcolm; Lam, Kristine W. F.; Díaz, Matías R.; Grziwa, Sascha; Collins, Karen A.; Livingston, John H.; Cochran, William D.; Hellier, Coel; Bellomo, Salvatore E.; Trifonov, Trifon; Rodler, Florian; Alarcon, Javier; Jenkins, Jon M.; Latham, David W.; Ricker, George; Seager, Sara; Vanderspeck, Roland; Winn, Joshua N.; Albrecht, Simon; Collins, Kevin I.; Csizmadia, Szilárd; Daylan, Tansu; Deeg, Hans J.; Esposito, Massimiliano; Fausnaugh, Michael; Georgieva, Iskra; Goffo, Elisa; Guenther, Eike; Hatzes, Artie P.; Howell, Steve B.; Jensen, Eric L. N.; Luque, Rafael; Mann, Andrew W.; Murgas, Felipe; Osborne, Hannah L. M.; Palle, Enric; Persson, Carina M.; Rowden, Pam; Rudat, Alexander; Smith, Alexis M. S.; Twicken, Joseph D.; Van Eylen, Vincent; Ziegler, Carl
Academic Journal
da Costa, Clauber H. S.; Bonatto, Vinicius; Santos, Hemillin Brenda Teixeira; de Souza, Carlos Gabriel da Silva; Montanari, Carlos A.; Skaf, Munir S.; Luque, F. Javier; Lameira, Jeronimo
Academic Journal
de Candia, Modesto ; Titov, Alexander A. ; Viayna, Antonio ; Kulikova, Larisa N. ; Purgatorio, Rosa ; Piergiovanni, Brigida ; Niso, Mauro ; Catto, Marco ; Voskressensky, Leonid G. ; Luque, F. Javier ; Altomare, Cosimo D.
In Chemico-Biological Interactions 1 December 2023 386
Academic Journal
Nadal Rodríguez, Pau; Hartung, Frederick; Pedrola, Marina; Coomar, Seemon; Diaz-Moreno, Alejandro; Hätälä, Anna M.; Rolfes, Katharina M.; Sánchez-Vera, Ismael; Gil, Joan; Molins, Elies; Viayna, Antonio; Hanzl, Alexander; Thomä, Nicolas H.; Haarmann-Stemmann, Thomas; Luque, F. Javier; Lavilla, Rodolfo; Ghashghaei, Ouldouz
Report
Carleo, Ilaria; Gandolfi, Davide; Barragán, Oscar; Livingston, John H.; Persson, Carina M.; Lam, Kristine W. F.; Vidotto, Aline; Lund, Michael B.; D'Angelo, Carolina Villarreal; Collins, Karen A.; Fossati, Luca; Howard, Andrew W.; Kubyshkina, Daria; Brahm, Rafael; Oklopčić, Antonija; Mollière, Paul; Redfield, Seth; Serrano, Luisa Maria; Dai, Fei; Fridlund, Malcolm; Borsa, Francesco; Korth, Judith; Esposito, Massimiliano; Díaz, Matías R.; Nielsen, Louise Dyregaard; Hellier, Coel; Mathur, Savita; Deeg, Hans J.; Hatzes, Artie P.; Benatti, Serena; Rodler, Florian; Alarcon, Javier; Spina, Lorenzo; Santos, Ângela R. G.; Georgieva, Iskra; García, Rafael A.; González-Cuesta, Lucía; Ricker, George R.; Vanderspek, Roland; Latham, David W.; Seager, Sara; Winn, Joshua N.; Jenkins, Jon M.; Albrecht, Simon; Batalha, Natalie M.; Beard, Corey; Boyd, Patricia T.; Bouchy, François; Burt, Jennifer A.; Butler, R. Paul; Cabrera, Juan; Chontos, Ashley; Ciardi, David; Cochran, William D.; Collins, Kevin I.; Crane, Jeffrey D.; Crossfield, Ian; Csizmadia, Szilard; Dragomir, Diana; Dressing, Courtney; Eigmüller, Philipp; Endl, Michael; Erikson, Anders; Espinoza, Nestor; Fausnaugh, Michael; Feng, Fabo; Flowers, Erin; Fulton, Benjamin; Gonzales, Erica J.; Grieves, Nolan; Grziwa, Sascha; Guenther, Eike W.; Guerrero, Natalia M.; Henning, Thomas; Hidalgo, Diego; Hirano, Teruyuki; Hjorth, Maria; Huber, Daniel; Isaacson, Howard; Jones, Matias; Jordán, Andrés; Kabáth, Petr; Kane, Stephen R.; Knudstrup, Emil; Lubin, Jack; Luque, Rafael; Mireles, Ismael; Narita, Norio; Nespral, David; Niraula, Prajwal; Nowak, Grzegorz; Palle, Enric; Pätzold, Martin; Petigura, Erik A; Prieto-Arranz, Jorge; Rauer, Heike; Robertson, Paul; Rose, Mark E.; Roy, Arpita; Sarkis, Paula; Schlieder, Joshua E.; Ségransan, Damien; Shectman, Stephen; Skarka, Marek; Smith, Alexis M. S.; Smith, Jeffrey C.; Stassun, Keivan; Teske, Johanna; Twicken, Joseph D.; Van Eylen, Vincent; Wang, Sharon; Weiss, Lauren M.; Wyttenbach, Aurélien
2020AJ....160..114C
Academic Journal
Calbó, Arnau; Piccichè, Miriam; Rubert, Llorenç; Comas-Iwasita, Eisuke; Griera, Rosa; Estarellas, Carolina; Luque, F. Javier; Bosch, Joan; Amat, Mercedes
Academic Journal
Arroyo Máñez, Pau Martí, Marcelo A. Estrin, Darío A. Luque , F . Javier 2011 Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from Campylobacter jejuni Biochemistry 50 19 3946 3956
RODERIC. Repositorio Institucional de la Universitat de València
Universitat de València
RODERIC. Repositorio Institucional de la Universitat de València
Universitat de València
Academic Journal
Digital.CSIC. Repositorio Institucional del CSIC
Consejo Superior de Investigaciones Científicas (CSIC)
instname
Expert Opinion on Therapeutic Patents
Consejo Superior de Investigaciones Científicas (CSIC)
instname
Expert Opinion on Therapeutic Patents
Academic Journal
Pont, Caterina ; Ginex, Tiziana ; Griñán-Ferré, Christian ; Scheiner, Matthias ; Mattellone, Alexia ; Martínez, Noemí ; Arce, Elsa M. ; Soriano-Fernández, Yolanda ; Naldi, Marina ; De Simone, Angela ; Barenys, Marta ; Gómez-Catalán, Jesús ; Pérez, Belén ; Sabate, Raimon ; Andrisano, Vincenza ; Loza, María Isabel ; Brea, José ; Bartolini, Manuela ; Bolognesi, Maria Laura ; Decker, Michael ; Pallàs, Mercè ; Luque, F. Javier ; Muñoz-Torrero, Diego
In European Journal of Medicinal Chemistry 5 December 2021 225
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