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

Inhibitors of GapN-dependent NADPH supply as potential lead compounds for novel therapeutics against Streptococcus pyogenes

抑制 GapN 依赖性 NADPH 供应的药物作为抗化脓性链球菌新型疗法的潜在先导化合物

Schütt, Isabell; Einwohlt, Philip; Wandinger, Anna-Maria; Teuffel, Jonathan; Wirsing, Regina; Hlawatschke, Ben H; Fehlauer, Hanna L; Bothe, Sebastian; Bader, Nicole; Monaci, Emanuele; Kreikemeyer, Bernd; Schindelin, Hermann; Wade, Rebecca C; Fiedler, Tomas

K5 polysaccharides inhibit SARS-CoV-2 infection by preventing spike-proteolytic priming.

K5多糖通过阻止刺突蛋白水解启动来抑制SARS-CoV-2感染。

Milanesi Maria, Urbinati Chiara, Zimmermann Liv, Oreste Pasqua, Zani Alberto, Caruso Arnaldo, Caccuri Francesca, Laketa Vibor, Chlanda Petr, Wade Rebecca C, Rusnati Marco, Paiardi Giulia

S100A1ct: A Synthetic Peptide Derived From S100A1 Protein Improves Cardiac Performance and Survival in Preclinical Heart Failure Models

S100A1ct:一种源自S100A1蛋白的合成肽可改善临床前心力衰竭模型的心脏功能和生存率

Kehr, Dorothea; Ritterhoff, Julia; Glaser, Manuel; Jarosch, Lukas; Salazar, Rafael E; Spaich, Kristin; Varadi, Karl; Birkenstock, Jennifer; Egger, Michael; Gao, Erhe; Koch, Walter J; Sauter, Max; Freichel, Marc; Katus, Hugo A; Frey, Norbert; Jungmann, Andreas; Busch, Cornelius; Mather, Paul J; Ruhparwar, Arjang; Busch, Martin; Völkers, Mirko; Wade, Rebecca C; Most, Patrick

Simulation of Neurotrophin Receptor Transmembrane Helix Interactions Reveals Active States and Distinct Signaling Mechanisms

神经营养因子受体跨膜螺旋相互作用的模拟揭示了活性状态和不同的信号传导机制

Athanasiou, Christina; Claveras Cabezudo, Ainara; Tsengenes, Alexandros; Wade, Rebecca C

Design of 2-Aminobenzothiazole Derivatives Targeting Trypanosomatid PTR1 by a Multidisciplinary Fragment Hybridization Approach

利用多学科片段杂交方法设计靶向锥虫 PTR1 的 2-氨基苯并噻唑衍生物

Panecka-Hofman, Joanna; Linciano, Pasquale; Pöhner, Ina; Dyguda-Kazimierowicz, Edyta; Jedwabny, Wiktoria; Landi, Giacomo; Santarem, Nuno; Witt, Gesa; Ellinger, Bernhard; Kuzikov, Maria; Luciani, Rosaria; Ferrari, Stefania; Aiello, Daniele; Mangani, Stefano; Pozzi, Cecilia; Cordeiro-da-Silva, Anabela; Gul, Sheraz; Costi, Maria Paola; Wade, Rebecca C

A Multiscale Simulation Approach to Compute Protein-Ligand Association Rate Constants by Combining Brownian Dynamics and Molecular Dynamics

结合布朗动力学和分子动力学的多尺度模拟方法计算蛋白质-配体结合速率常数

Muñiz-Chicharro, Abraham; Ganotra, Gaurav K; Wade, Rebecca C

Design of nanobody targeting SARS-CoV-2 spike glycoprotein using CDR-grafting assisted by molecular simulation and machine learning

利用CDR嫁接技术,结合分子模拟和机器学习,设计靶向SARS-CoV-2刺突糖蛋白的纳米抗体

Ferraz, Matheus V F; Adan, W Camilla S; Lima, Tayná E; Santos, Adriele J C; de Paula, Sérgio O; Dhalia, Rafael; Wallau, Gabriel L; Wade, Rebecca C; Viana, Isabelle F T; Lins, Roberto D

The accomplices: Heparan sulfates and N-glycans foster SARS-CoV-2 spike:ACE2 receptor binding and virus priming

同谋:硫酸乙酰肝素和N-糖链促进SARS-CoV-2刺突蛋白与ACE2受体的结合以及病毒的启动

Paiardi, Giulia; Ferraz, Matheus; Rusnati, Marco; Wade, Rebecca C

Multiresolution molecular dynamics simulations reveal the interplay between conformational variability and functional interactions in membrane-bound cytochrome P450 2B4

多分辨率分子动力学模拟揭示了膜结合细胞色素P450 2B4构象变异性和功能相互作用之间的相互作用

Han, Sungho Bosco; Teuffel, Jonathan; Mukherjee, Goutam; Wade, Rebecca C

Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD

利用τRAMD对突变对蛋白质-蛋白质解离速率和解离机制的影响进行计算筛选

D'Arrigo, Giulia; Kokh, Daria B; Nunes-Alves, Ariane; Wade, Rebecca C