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

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2

CACHE挑战赛#3:靶向SARS-CoV-2的Nsp3宏结构域

Herasymenko, Oleksandra; Silva, Madhushika; Correy, Galen J; Abu-Saleh, Abd Al-Aziz A; Ackloo, Suzanne; Arrowsmith, Cheryl; Ashworth, Alan; Ban, Fuqiang; Beck, Hartmut; Bishop, Kevin P; Bohórquez, Hugo J; Bolotokova, Albina; Breznik, Marko; Chau, Irene; Chen, Yu; Cherkasov, Artem; Dehaen, Wim; Della Corte, Dennis; Denzinger, Katrin; Doering, Niklas P; Edfeldt, Kristina; Edwards, Aled; Fayne, Darren; Gentile, Francesco; Gibson, Elisa; Gokdemir, Ozan; Gunnarsson, Anders; Günther, Judith; Irwin, John J; Jensen, Jan Halborg; Harding, Rachel J; Hillisch, Alexander; Hoffer, Laurent; Hogner, Anders; Hutchinson, Ashley; Kandwal, Shubhangi; Karlova, Andrea; Koirala, Kushal; Kotelnikov, Sergei; Kozakov, Dima; Lee, Juyong; Lee, Soowon; Lessel, Uta; Liu, Sijie; Liu, Xuefeng; Loppnau, Peter; Meiler, Jens; Moretti, Rocco; Moroz, Yurii S; Muvva, Charuvaka; Oprea, Tudor I; Paige, Brooks; Pandit, Amit; Park, Keunwan; Poda, Gennady; Protopopov, Mykola V; Pütter, Vera; Ravichandran, Rahul; Rognan, Didier; Rosta, Edina; Sabnis, Yogesh; Scott, Thomas; Seitova, Almagul; Sharma, Purshotam; Sindt, François; Song, Minghu; Steinmann, Casper; Stevens, Rick; Talagayev, Valerij; Tararina, Valentyna V; Tarkhanova, Olga; Tingey, Damon; Trant, John F; Treleaven, Dakota; Tropsha, Alexander; Walters, Patrick; Wells, Jude; Westermaier, Yvonne; Wolber, Gerhard; Wortmann, Lars; Zheng, Shuangjia; Fraser, James S; Schapira, Matthieu

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

Deep representation learning for clustering longitudinal survival data from electronic health records

基于深度表征的聚类方法,用于分析电子健康记录中的纵向生存数据

Qiu, Jiajun; Hu, Yao; Li, Li; Erzurumluoglu, Abdullah Mesut; Braenne, Ingrid; Whitehurst, Charles; Schmitz, Jochen; Arora, Jatin; Bartholdy, Boris Alexander; Gandhi, Shrey; Khoueiry, Pierre; Mueller, Stefanie; Noyvert, Boris; Ding, Zhihao; Jensen, Jan Nygaard; de Jong, Johann

A Deep Generative Model for the Inverse Design of Transition Metal Ligands and Complexes

用于过渡金属配体和配合物逆向设计的深度生成模型

Strandgaard, Magnus; Linjordet, Trond; Kneiding, Hannes; Burnage, Arron L; Nova, Ainara; Jensen, Jan Halborg; Balcells, David

SMILES all around: structure to SMILES conversion for transition metal complexes

SMILES 函数无处不在:过渡金属配合物的结构式到 SMILES 函数的转换

Rasmussen, Maria H; Strandgaard, Magnus; Seumer, Julius; Hemmingsen, Laura K; Frei, Angelo; Balcells, David; Jensen, Jan H

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

CACHE挑战#2:靶向SARS-CoV-2解旋酶Nsp13的RNA位点

Herasymenko, Oleksandra; Silva, Madhushika; Abu-Saleh, Abd Al-Aziz A; Ahmad, Ayaz; Alvarado-Huayhuaz, Jesus; Arce, Oscar E A; Armstrong, Roly J; Arrowsmith, Cheryl; Bachta, Kelly E; Beck, Hartmut; Berta, Denes; Bieniek, Mateusz K; Blay, Vincent; Bolotokova, Albina; Bourne, Philip E; Breznik, Marko; Brown, Peter J; Campbell, Aaron D G; Carosati, Emanuele; Chau, Irene; Cole, Daniel J; Cree, Ben; Dehaen, Wim; Denzinger, Katrin; Dos Santos Machado, Karina; Dunn, Ian; Durai, Prasannavenkatesh; Edfeldt, Kristina; Edwards, Aled; Fayne, Darren; Felfoldi, Daniel; Friston, Kallie; Ghiabi, Pegah; Gibson, Elisa; Günther, Judith; Gunnarsson, Anders; Hillisch, Alexander; Houston, Douglas R; Jensen, Jan Halborg; Harding, Rachel J; Harris, Kate S; Hoffer, Laurent; Hogner, Anders; Horton, Joshua T; Houliston, Scott; Hultquist, Judd F; Hutchinson, Ashley; Irwin, John J; Jukič, Marko; Kandwal, Shubhangi; Karlova, Andrea; Katis, Vittorio L; Kich, Ryan P; Kireev, Dmitri; Koes, David; Inniss, Nicole L; Lessel, Uta; Liu, Sijie; Loppnau, Peter; Lu, Wei; Martino, Sam; McGibbon, Miles; Meiler, Jens; Mettu, Akhila; Money-Kyrle, Sam; Moretti, Rocco; Moroz, Yurii S; Muvva, Charuvaka; Newman, Joseph A; Obendorf, Leon; Paige, Brooks; Pandit, Amit; Park, Keunwan; Perveen, Sumera; Pirie, Rachael; Poda, Gennady; Protopopov, Mykola; Pütter, Vera; Ricci, Federico; Roper, Natalie J; Rosta, Edina; Rzhetskaya, Margarita; Sabnis, Yogesh; Satchell, Karla J F; Schmitt Kremer, Frederico; Scott, Thomas; Seitova, Almagul; Steinmann, Casper; Talagayev, Valerij; Tarkhanova, Olga O; Tatum, Natalie J; Treleaven, Dakota; Velasque Werhli, Adriano; Walters, W Patrick; Wang, Xiaowen; Wells, Jude; Wells, Geoffrey; Westermaier, Yvonne; Wolber, Gerhard; Wortmann, Lars; Zhang, Jixian; Zhao, Zheng; Zheng, Shuangjia; Schapira, Matthieu

Evaluating a Paramedic-Led Fall-Referral Program in Nova Scotia: a Mixed-Methods Study

评估新斯科舍省由急救人员主导的跌倒转诊计划:一项混合方法研究

Duignan, Luke; Opra, Izabelle; Carter, Alix Je; Grenapin, Florence; McCulloch, Scott; Travers, Andrew; Jensen, Jan; Andreou, Pan; Baker, Suzanne; Goldstein, Judah

Exercise therapy for chronic fatigue syndrome

慢性疲劳综合征的运动疗法

Larun, Lillebeth; Brurberg, Kjetil G; Odgaard-Jensen, Jan; Price, Jonathan R

Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms

利用遗传算法发现钼基固氮催化剂

Strandgaard, Magnus; Seumer, Julius; Jensen, Jan H

Efficacy and Safety of Somapacitan Relative to Somatrogon and Lonapegsomatropin in Pediatric Growth Hormone Deficiency: Systematic Literature Review and Network Meta-analysis

索马帕西坦与索马曲酮和洛那培索马曲平治疗儿童生长激素缺乏症的疗效和安全性:系统文献综述和网络荟萃分析

de Fries Jensen, Lasse; Antavalis, Vasileios; Odgaard-Jensen, Jan; Rossi, Annachiara; Pietropoli, Alberto; Højby, Michael