日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Advancing real-world evidence in Brazil: regulatory gaps and global lessons

在巴西推进真实世界证据:监管漏洞和全球经验教训

Cézar de Aquino, Nélio; Reichert, Cadiele Oliana; Alberto de Padua Covas Lage, Luis; Culler, Hebert Fabricio; Rosa Roitberg, Felipe Santa; Rocha, Vanderson; Rocha Alves, Flávia Neves; Pereira, Juliana

The need to implement FAIR principles in biomolecular simulations

在生物分子模拟中实施 FAIR 原则的必要性

Amaro, Rommie E; Åqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip C; Bonomi, Massimiliano; Bowman, Gregory R; Bryce, Richard A; Bussi, Giovanni; Carloni, Paolo; Case, David A; Cavalli, Andrea; Chang, Chia-En A; Cheatham, Thomas E 3rd; Cheung, Margaret S; Chipot, Christophe; Chong, Lillian T; Choudhary, Preeti; Cisneros, G Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T Daniel; Dal Peraro, Matteo; de Groot, Bert L; Delemotte, Lucie; De Vivo, Marco; Essex, Jonathan W; Fraternali, Franca; Gao, Jiali; Gelpí, Josep Ll; Gervasio, Francesco L; González-Nilo, Fernando D; Grubmüller, Helmut; Guenza, Marina G; 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 C L; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun L; Luque, F Javier; Lynch, Charlotte I; MacKerell, Alexander D Jr; Magistrato, Alessandra; Marrink, Siewert J; Martin, Hugh; McCammon, J Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian J; Murad, Sohail; Naganathan, Athi N; Nangia, Shikha; Noe, Frank; Noy, Agnes; Oláh, Julianna; O'Mara, Megan L; Ondrechen, Mary Jo; Onuchic, Jose N; Onufriev, Alexey; Osuna, Sílvia; Palermo, Giulia; Panchenko, Anna R; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan R; Pettitt, B Montgomery; Pietropaolo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo B; Praprotnik, Matej; Ramos, Maria J; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Rothlisberger, 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; Tuñón, Iñaki; van der Kamp, Marc W; van der Spoel, David; Velankar, Sameer; Voth, Gregory A; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey D; Wheeler, Travis J; Wong, Chung F; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto

AQuaRef: machine learning accelerated quantum refinement of protein structures

AQuaRef:机器学习加速蛋白质结构的量子精修

Zubatyuk, Roman; Biczysko, Malgorzata; Ranasinghe, Kavindri; Moriarty, Nigel W; Gokcan, Hatice; Kruse, Holger; Poon, Billy K; Adams, Paul D; Waller, Mark P; Roitberg, Adrian E; Isayev, Olexandr; Afonine, Pavel V

Clinical assessment and interpretation of dysarthria in ALS using attention based deep learning AI models

利用基于注意力机制的深度学习人工智能模型对ALS患者的构音障碍进行临床评估和解读

Merler, Michele; Agurto, Carla; Peller, Julian; Roitberg, Esteban; Taitz, Alan; Trevisan, Marcos A; Navar, Indu; Berry, James D; Fraenkel, Ernest; Ostrow, Lyle W; Cecchi, Guillermo A; Norel, Raquel

World health Organization's guidance for tracking non-communicable diseases towards sustainable development goals 3.4: an initiative for facility-based monitoring

世界卫生组织关于追踪非传染性疾病以实现可持续发展目标3.4的指导原则:一项基于医疗机构的监测倡议

Quiambao, Arlene; Malekpour, Mohammad-Reza; Golestani, Ali; Heidari-Foroozan, Mahsa; Ghamari, Seyyed-Hadi; Abbasi-Kangevari, Mohsen; Anderson, Benjamin O; Barango, Prebo; Fidarova, Elena; Hemmingsen, Bianca; Ilbawi, Andre; Khan, Taskeen; Sequeria, Roberta Ortiz; Roglic, Gojka; Rylance, Sarah; Roitberg, Felipe; Riley, Leanne; Slama, Slim; Bhatti, Lubna; Cowan, Melanie; Rarau, Patricia; Savin, Stefan; Farzadfar, Farshad; Agboyibor, Kouamivi Mawuenyegan; Aggarwal, Ashutosh N; Akala, Oyetayo; Angkurawaranon, Chaisiri; Chu, Hong Anh; Anjana, Ranjit Mohan; Antini, Carmen; Aziz, Zeba; Barkley, Shannon; Basit, Abdul; Basu, Partha; Majano, Sara Benitez; Bennoor, Kazi; Brettler, Jeffrey W; Cabioglu, Neslihan; Caixeta, Roberta; Campbell, Norman; Chavez, Carolina; Choudhury, Sohel Reza; Corbex, Marilys Anne; Cruz, Alvaro; Daceney, Nemdia; Dalal, Shona; Danaei, Goodarz; Dangou, Jean-Marie; De Groote, Wouter; Diallo, Cheick Bady; Dille, Issimouha; Domingo, Rolando Enrique; Dorji, Gampo; Duncan, Brucel B; Egere, Uzochukwu; El Berri, Hicham; El Sony, Asma; Eltigani, Mai; Farrington, Jill; Fouad, Heba; Friedrich, Paola; Fuentes-Alabi, Soad; Gamarra, Angelo; Gregg, Edward; Gupta, Reena; Gupta, Sumit; Jia, Weiping; Jiagge, Evelyn; Jousilahti, Pekka; Kesavan, Ratnasabathipillai; Kumar, Somesh; Laatikainen, Tiina; Larijani, Bagher; Losada, Maria Lasierra; Le Thi, Tuyet Lan; Levitt, Naomi; Luciani, Sylvana; Maza, Mauricio; Mikkelsen, Bente; Mohammad, Yousser; Moran, Andrew; Motlagh, Ali; Mulupi, Stephen; Murillo, Raul H; Mutebi, Miriam; Nantanda, Rebecca; Nyirenda, Moffat; O'Connor, Patrick; Ojji, Dike; Omoro, Gertrude Edna; Ondarsuhu, Dolores; Ordunez, Pedro; Sidi Mohamed, Mohamed Ould; Owolabi, Mayowa; Rahimi, Kazem; Rakovac, Ivo; Raposo, Joao Filipe; Rosende, Andres; Rowley, Jane; Sankaranarayanan, Rengaswamy; Smelov, Vitaly; Tiko, Josaia; Tonelli, Marcello; Tsoyi, Elena; Tuttle, Todd; Varghese, Cherian; Vásquez, Liliana; Viswanathan, Kavitha; Xu, Hongyi; Yip, Cheng-Har

Guided multi-objective generative AI to enhance structure-based drug design

引导式多目标生成式人工智能增强基于结构的药物设计

Kadan, Amit; Ryczko, Kevin; Lloyd, Erika; Roitberg, Adrian; Yamazaki, Takeshi

ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules

ANI-1xBB:一种基于ANI的小分子有机反应势

Zhang, Shuhao; Zubatyuk, Roman; Yang, Yinuo; Roitberg, Adrian; Isayev, Olexandr

Adding the AMBER 14SB Force Field to the Stochastic Titration CpHMD Method

将 AMBER 14SB 力场添加到随机滴定 CpHMD 方法中

Sequeira, João G N; Roitberg, Adrian E; Machuqueiro, Miguel

Recent Developments in Amber Biomolecular Simulations

Amber生物分子模拟的最新进展

Case, David A; Cerutti, David S; Cruzeiro, Vinícius Wilian D; Darden, Thomas A; Duke, Robert E; Ghazimirsaeed, Mahdieh; Giambaşu, George M; Giese, Timothy J; Götz, Andreas W; Harris, Julie A; Kasavajhala, Koushik; Lee, Tai-Sung; Li, Zhen; Lin, Charles; Liu, Jian; Miao, Yinglong; Salomon-Ferrrer, Romelia; Shen, Jana; Snyder, Ryan; Swails, Jason; Walker, Ross C; Wang, Jinan; Wu, Xiongwu; Zeng, Jinzhe; Cheatham Iii, Thomas E; Roe, Daniel R; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M; Nagan, Maria C; Merz, Kenneth M Jr

Listener effort measures clinically meaningful change of dysarthria in amyotrophic lateral sclerosis

听觉努力程度可衡量肌萎缩侧索硬化症患者构音障碍的临床意义变化

Bingham, Indu Navar; Norel, Raquel; Roitberg, Esteban G; Peller, Julián; Trevisan, Marcos A; Agurto, Carla; Merler, Michele; Shalom, Diego E; Aguirre, Felipe; Embon, Iair; Taitz, Alan; Harris, Donna; Wright, Amy; Seaver, Katie; Sullivan, Stacey; Green, Jordan R; Ostrow, Lyle W; Fraenkel, Ernest; Berry, James D