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

Monooxygenase Activity of Indoleamine 2,3-Dioxygenase

吲哚胺2,3-双加氧酶的单加氧酶活性

Lubis, Ali B; Bailey, Anna J; Hanževački, Marko; Williams, Christopher; Jesani, Mehul; González-Sánchez, Lola; Arthur, Christopher J; Wilson, Hannah C; Gallio, Andrea E; Moody, Peter C E; Crump, Matthew P; Mulholland, Adrian J; Orville, Allen M; Clayden, Jonathan; Raven, Emma L

Elements and roadmap for interactive molecular graphics and modeling "in the Holodeck"

“全息甲板”中交互式分子图形和建模的要素和路线图

Mulholland, Adrian J; Abriata, Luciano A

Ligand-driven modulation of chaperone-cochaperone networks shapes proteostasis outcomes

配体驱动的分子伴侣-辅助伴侣网络调控影响蛋白质稳态结果

Magni, Andrea; Bonollo, Giorgio; Trèves, Gauthier; Frigerio, Francesco; Cinquini, Fabrizio; Pavoni, Silvia; Oliveira, A Sofia F; Mulholland, Adrian J; Serapian, Stefano A; Colombo, Giorgio

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

Solvent Channels and Electric Fields Guide Proton Delivery to the Active Site of Heme Peroxidases

溶剂通道和电场引导质子向血红素过氧化物酶活性位点的传递

Suardíaz, Reynier; Siddiqui, Shakir Ali; Kwon, Hanna; van der Kamp, Marc W; González-Sánchez, Lola; Moody, Peter C E; Raven, Emma L; Mulholland, Adrian J

Structural Insights into Bortezomib-Induced Activation of the Caseinolytic Chaperone-Protease System in Mycobacterium tuberculosis

结核分枝杆菌中硼替佐米诱导酪蛋白水解分子伴侣-蛋白酶系统激活的结构解析

Zhou, Biao; Gao, Yamin; Zhao, Heyu; Liu, Banghui; Zhang, Han; Fang, Cuiting; Yuan, Hang; Wang, Jingjing; Li, Zimu; Zhao, Yi; Huang, Xiaodong; Wang, Xiyue; Oliveira, A Sofia F; Spencer, James; Mulholland, Adrian J; Burston, Steven G; Hu, Jinxing; Su, Ning; Chen, Xinwen; He, Jun; Zhang, Tianyu; Xiong, Xiaoli

Metallo-coiled Coil Stabilization via Chemical Cross-Linking: Implications for Gd(III)-Based MRI Contrast Agents

通过化学交联稳定金属螺旋线圈:对基于Gd(III)的MRI造影剂的启示

Hadley, Kate A; Ricci, Marco; Hanzevacki, Marko; Bernstein, Helena; Jayasekera, Hiruni S; Leney, Aneika C; Mulholland, Adrian J; Carniato, Fabio; Botta, Mauro; Britton, Melanie M; Peacock, Anna F A

Bridged Azobenzene Exhibits Fully Reversible Photocontrolled Binding to a G‑Quadruplex DNA/Duplex Junction

桥联偶氮苯表现出与G-四链体DNA/双链连接处的完全可逆光控结合

Ramos-Soriano, Javier; Jiang, Y Jennifer; Deng, Bowen; O Hagan, Michael P; Rao, Aditya G; Lu, Doudou; Haldar, Susanta; Oliveira, A Sofia F; Mulholland, Adrian J; Galan, M Carmen

Double crossed? Structural and computational studies of an unusually crosslinked haem in Methylococcus capsulatus cytochrome P460

双重交叉?甲基球菌细胞色素P460中异常交联血红素的结构和计算研究

Pfalzgraf, Hans E; Rao, Aditya G; Sen, Kakali; Adams, Hannah R; Edwards, Marcus; Lu, You; Yong, Chin; Jaho, Sofia; Tosha, Takehiko; Sugimoto, Hiroshi; Horrell, Sam; Beilsten-Edmands, James; Owen, Robin L; Andrew, Colin R; Worrall, Jonathan A R; Tews, Ivo; Mulholland, Adrian J; Hough, Michael A; Keal, Thomas W

Allosteric modulation by the fatty acid site in the glycosylated SARS-CoV-2 spike

SARS-CoV-2 刺突蛋白糖基化脂肪酸位点的变构调节

Oliveira, A Sofia F; Kearns, Fiona L; Rosenfeld, Mia A; Casalino, Lorenzo; Tulli, Lorenzo; Berger, Imre; Schaffitzel, Christiane; Davidson, Andrew D; Amaro, Rommie E; Mulholland, Adrian J