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

Structural dynamics of DNA mimic foldamers

DNA模拟折叠体的结构动力学

Loos, Manuel; Thurecht, Lion; Wu, Jiaojiao; Corvaglia, Valentina; Liu, Zhiwei; Pophristic, Vojislava; Zacharias, Martin; Huc, Ivan

Machine learning models for prediction of (Pro)cathepsin-glycosaminoglycan binding free energies based on molecular structure

基于分子结构的机器学习模型用于预测(前)组织蛋白酶-糖胺聚糖结合自由能

Bojarski, Krzysztof K; Quoika, Patrick K; Zacharias, Martin

In Silico Analysis of Potential Stabilizer Binding Sites at Protein-RNA Interfaces

利用计算机模拟分析蛋白质-RNA界面上潜在的稳定剂结合位点

Vollmers, Luis; Chen, Shu-Yu; Zacharias, Martin

De novo protein-ligand design including protein flexibility and conformational adaptation

从头设计蛋白质-配体,包括蛋白质柔性和构象适应性

Agamia, Jakob; Zacharias, Martin

The vacuolar tauopathy-associated mutation D395G confers redox sensitivity to p97/VCP

空泡性tau蛋白病相关突变D395G赋予p97/VCP氧化还原敏感性

Rout, Smruti R; Kulke, Martin; Droemer, Maxim A; Wendel, Marcel; Cheng, Tat Cheung; Mauck, Tristan A; Asgari, Sean; Nemec, Antonia A; Shein, Mikhail; Sato, Yusuke; Fukai, Shuya; Witte, Gregor; Tomko, Robert J; Stengel, Florian; Zacharias, Martin; Schuetz, Anne K; Sakata, Eri

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

Tailored phenyl ureas eradicate drug-resistant Mycobacterium tuberculosis by targeting mycolic acid cell wall assembly

定制的苯脲类化合物通过靶向分枝菌酸细胞壁组装来根除耐药结核分枝杆菌。

Mostert, Dietrich; Braun, Josef; Zimmerman, Matthew D; Engelhart, Curtis A; Berndl, Sara; Quoika, Patrick K; Kany, Andreas M; Proietto, Julianna; Penalva-Lopez, Suyapa; Wallach, Joshua B; Hirsch, Anna K H; Zacharias, Martin; Schnappinger, Dirk; Dartois, Véronique; Sieber, Stephan A

How conformational changes near the F pocket of MHC class I proteins mediate chaperone assisted peptide loading

MHC I 类蛋白 F 口袋附近的构象变化如何介导分子伴侣辅助的肽加载

Göppert, Simone; Springer, Sebastian; Zacharias, Martin

Comparative performance of PD-L1 scoring by pathologists and AI algorithms

病理学家和人工智能算法对PD-L1评分的比较性能

Plass, Markus; Olteanu, Gheorghe-Emilian; Dacic, Sanja; Kern, Izidor; Zacharias, Martin; Popper, Helmut; Fukuoka, Junya; Ishijima, Sosuke; Kargl, Michaela; Murauer, Christoph; Kalson, Lipika; Brcic, Luka

Efficient and accurate binding free energy calculation of Aβ(9-40) protofilament propagation

高效、准确地计算Aβ(9-40)原丝传播的结合自由能

Frost, Christina V; Schwierz, Nadine; Zacharias, Martin