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

Organizing across disciplines to tackle shared computational challenges

跨学科组织起来,共同应对计算挑战

Treyde, Wojtek; Kwiatkowski, Aleksy; Achterberg, Jascha; Akarca, Danyal; Buttenschoen, Martin; Byrne, Rory T; Didi, Kieran; Kordova, Kristina; Lála, Jakub; Langford, Jonathon; Mroz, Austin M; Radmard, Puria; Szczypiński, Filip T; Sevenster, Eva; Van den Bossche, Inga; Wójcik, Michał

Autonomous mobile robots for exploratory synthetic chemistry

用于探索性合成化学的自主移动机器人

Dai, Tianwei; Vijayakrishnan, Sriram; Szczypiński, Filip T; Ayme, Jean-François; Simaei, Ehsan; Fellowes, Thomas; Clowes, Rob; Kotopanov, Lyubomir; Shields, Caitlin E; Zhou, Zhengxue; Ward, John W; Cooper, Andrew I

Dynamic and solid-state behaviour of bromoisotrianglimine

溴异三甘醇胺的动态和固态行为

Scholes, Abbie M; Kershaw Cook, Laurence J; Szczypiński, Filip T; Luzyanin, Konstantin V; Egleston, Benjamin D; Greenaway, Rebecca L; Slater, Anna G

Copper chelation suppresses epithelial-mesenchymal transition by inhibition of canonical and non-canonical TGF-β signaling pathways in cancer

铜螯合物通过抑制癌症中的典型和非典型 TGF-β 信号通路来抑制上皮-间质转化

Ensieh M Poursani #, Daniele Mercatelli #, Prahlad Raninga #, Jessica L Bell, Federica Saletta, Felix V Kohane, Daniel P Neumann, Ye Zheng, Jourdin R C Rouaen, Toni Rose Jue, Filip T Michniewicz, Piper Schadel, Erin Kasiou, Maria Tsoli, Giuseppe Cirillo, Shafagh Waters, Tyler Shai-Hee, Riccardo Cazz

Explainable graph neural networks for organic cages

用于有机笼的可解释图神经网络

Yuan, Qi; Szczypiński, Filip T; Jelfs, Kim E

Inside Back Cover: Aptamer Blocking Strategy Inhibits SARS‐CoV‐2 Virus Infection (Angew. Chem. Int. Ed. 18/2021)

封底内页:适体阻断策略抑制SARS-CoV-2病毒感染(Angew. Chem. Int. Ed. 18/2021)

Abet, Valentina; Szczypiński, Filip T; Little, Marc A; Santolini, Valentina; Jones, Christopher D; Evans, Robert; Wilson, Craig; Wu, Xiaofeng; Thorne, Michael F; Bennison, Michael J; Cui, Peng; Cooper, Andrew I; Jelfs, Kim E; Slater, Anna G; Sun, Miao; Liu, Siwen; Wei, Xinyu; Wan, Shuang; Huang, Mengjiao; Song, Ting; Lu, Yao; Weng, Xiaonan; Lin, Zhu; Chen, Honglin; Song, Yanling; Yang, Chaoyong

Materials Precursor Score: Modeling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors

材料前体评分:模拟化学家对多孔有机笼状前体合成可及性的直觉

Bennett, Steven; Szczypiński, Filip T; Turcani, Lukas; Briggs, Michael E; Greenaway, Rebecca L; Jelfs, Kim E

Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity

诱导有机笼中的社会自分类以调节内部空腔的形状

Abet, Valentina; Szczypiński, Filip T; Little, Marc A; Santolini, Valentina; Jones, Christopher D; Evans, Robert; Wilson, Craig; Wu, Xiaofeng; Thorne, Michael F; Bennison, Michael J; Cui, Peng; Cooper, Andrew I; Jelfs, Kim E; Slater, Anna G

Can we predict materials that can be synthesised?

我们能否预测哪些材料可以合成?

Szczypiński, Filip T; Bennett, Steven; Jelfs, Kim E

Abstracts of the 33rd International Austrian Winter Symposium : Zell am See, Austria. 24-27 January 2018

第33届奥地利国际冬季研讨会论文摘要集:奥地利滨湖采尔,2018年1月24-27日

Binzel, K; Adelaja, A; Wright, C L; Scharre, D; Zhang, J; Knopp, M V; Teoh, E J; Bottomley, D; Scarsbrook, A; Payne, H; Afaq, A; Bomanji, J; van As, N; Chua, S; Hoskin, P; Chambers, A; Cook, G J; Warbey, V S; Chau, A; Ward, P; Miller, M P; Stevens, D J; Wilson, L; Gleeson, F V; Scheidhauer, K; Seidl, C; Autenrieth, M; Bruchertseifer, F; Apostolidis, C; Kurtz, F; Horn, T; Pfob, C; Schwaiger, M; Gschwend, J; D'Alessandria, C; Morgenstern, A; Uprimny, C; Kroiss, A; Decristoforo, C; von Guggenberg, E; Nilica, B; Horninger, W; Virgolini, I; Rasul, S; Poetsch, N; Woehrer, A; Preusser, M; Mitterhauser, M; Wadsak, W; Widhalm, G; Mischkulnig, M; Hacker, M; Traub-Weidinger, T; Wright, C L; Binzel, K; Wuthrick, E J; Miller, E D; Maniawski, P; Zhang, J; Knopp, M V; Rep, Sebastijan; Hocevar, Marko; Vaupotic, Janja; Zdesar, Urban; Zaletel, Katja; Lezaic, Luka; Mairinger, S; Filip, Thomas; Sauberer, M; Flunkert, S; Wanek, T; Stanek, J; Okamura, N; Langer, O; Kuntner, C; Fornito, M C; Balzano, R; Di Martino, V; Cacciaguerra, S; Russo, G; Seifert, D; Kleinova, M; Cepa, A; Ralis, J; Hanc, P; Lebeda, O; Mosa, M; Vandenberghe, S; Mikhaylova, E; Borys, D; Viswanath, V; Stockhoff, M; Efthimiou, N; Caribe, P; Van Holen, R; Karp, J S; Binzel, K; Zhang, J; Wright, C L; Maniawski, P; Knopp, M V; Haller, P M; Farhan, C; Piackova, E; Jäger, B; Knoll, P; Kiss, A; Podesser, B K; Wojta, J; Huber, K; Mirzaei, S; Traxl, A; Komposch, K; Glitzner, Elisabeth; Wanek, T; Mairinger, S; Sibilia, M; Langer, O; Fornito, M C; Russello, M; Russo, G; Balzano, R; Sorko, S; Gallowitsch, H J; Kohlfuerst, S; Matschnig, S; Rieser, M; Sorschag, M; Lind, P; Ležaič, L; Rep, S; Žibert, J; Frelih, N; Šuštar, S; Binzel, K; Adelaja, A; Wright, C L; Scharre, D; Zhang, J; Knopp, M V; Baum, R P; Langbein, T; Singh, A; Shahinfar, M; Schuchardt, C; Volk, G F; Kulkarni, H R; Fornito, M C; Cacciaguerra, S; Balzano, R; Di Martino, G V; Russo, G; Thomson, W H; Kudlacek, M; Karik, M; Farhan, C; Rieger, H; Pokieser, W; Glaser, K; Mirzaei, S; Petz, V; Tugendsam, C; Buchinger, W; Schmoll-Hauer, B; Schenk, I P; Rudolph, K; Krebs, M; Zettinig, G; Zoufal, V; Wanek, T; Krohn, M; Mairinger, S; Stanek, J; Sauberer, M; Filip, T; Pahnke, J; Langer, O; Weitzer, F; Pernthaler, B; Salamon, S; Aigner, R; Koranda, P; Henzlová, L; Kamínek, M; Váchalová, Mo; Bachleda, P; Summer, D; Garousi, J; Oroujeni, M; Mitran, B; Andersson, K G; Vorobyeva, A; Löfblom, J N; Orlova, A; Tolmachev, V; Decristoforo, C; Kaeopookum, P; Summer, D; Orasch, T; Lechner, B; Petrik, M; Novy, Z; Rangger, C; Haas, H; Decristoforo, C