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

Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site

以更少的资源实现更多目标:通过聚焦结合位点实现精确且可扩展的配体自由能计算

Alencar Araripe, David; Díaz-Holguín, Alejandro; Poso, Antti; van Westen, Gerard J P; Åqvist, Johan; Gutiérrez-de-Terán, Hugo; Jespers, Willem

Pseudomonas aeruginosa acyl-CoA dehydrogenases and structure-guided inversion of their substrate specificity

铜绿假单胞菌酰基辅酶A脱氢酶及其底物特异性的结构导向反转

Wang, Meng; Medarametla, Prasanthi; Kronenberger, Thales; Deingruber, Tomas; Brear, Paul; Figueroa, Wendy; Ho, Pok-Man; Krueger, Thomas; Pearce, James C; Poso, Antti; Wakefield, James G; Spring, David R; Welch, Martin

PIP4K2C inhibition reverses autophagic flux impairment induced by SARS-CoV-2.

PIP4K2C 抑制可逆转 SARS-CoV-2 引起的自噬通量受损

Karim Marwah, Mishra Manjari, Lo Chieh-Wen, Saul Sirle, Cagirici Halise Busra, Gourdelier Manon, Ghita Luca, Ojha Amrita, Tran Do Hoang Nhu, Agrawal Aditi, McGraw Connor, East Michael P, Gammeltoft Karen Anbro, Sahoo Malaya Kumar, Mooney Nancie A, Johnson Gary L, Das Soumita, Leyssen Pieter, Neyts Johan, Chiu Winston, Cohen Courtney A, Bukh Jens, Gottwein Judith, Dye John M, Neff Norma, Jackson Peter K, Pinsky Benjamin A, Laitinen Tuomo, Pantsar Tatu, Poso Antti, Zanini Fabio, De Jonghe Steven, Asquith Christopher R M, Einav Shirit

Discovery of benzyl carbamate inhibitors of coronavirus M(pro) enzymes from a legacy collection of cysteine protease inhibitors

从一系列已知的半胱氨酸蛋白酶抑制剂中发现冠状病毒M(pro)酶的苄基氨基甲酸酯抑制剂

Sá Magalhães Serafim, Mateus; Kronenberger, Thales; Francisco, Karol R; de Sousa Reis, Erik Vinicius; Gonçalves de Oliveira, Ellen; Marcelino E Oliveira, Fernanda Kelly; Serraglio Fortes, Isadora; Maciel Fernandes, Thaís Helena; Barbosa da Silva, Elany; Fajtova, Pavla; Skinner, Danielle E; Syed, Rafay O; Lage de Siqueira-Neto, Jair; Poso, Antti; Fernandes Mota, Bruno Eduardo; Alves Coelho-Dos-Reis, Jordana Grazziela; Santos Abrahão, Jônatas; Gonçalves Maltarollo, Vinícius; O'Donoghue, Anthony J; Caffrey, Conor R

Look What You Made Me Do: Discerning Feature for Classification of Endocrine-Disrupting Chemical Binding to Steroid Hormone Receptors

看看你都让我做了什么:内分泌干扰化学物质与类固醇激素受体结合的鉴别特征

Rashidian, Azam; Pitkänen, Sini; Maltarollo, Vinicius Goncalves; Schoppmeier, Ulrich; Shevchenko, Ekaterina; Medarametla, Prasanthi; Poso, Antti; Küblbeck, Jenni; Honkakoski, Paavo; Kronenberger, Thales

A Twist of Fate: The Helix-Turn-Helix Motif in Pseudomonas aeruginosa ExsA Can Allosterically Stabilize the Ligand-Binding Domain

命运的转折:铜绿假单胞菌ExsA中的螺旋-转角-螺旋基序可通过变构作用稳定配体结合域

Medarametla, Prasanthi; Greenhalgh, Jack Calum; Pöhner, Ina; Welch, Martin; Poso, Antti; Kronenberger, Thales; Rahman, Taufiq

The human microbiome-derived antimicrobial lugdunin self-regulates its biosynthesis by a feed-forward mechanism

人类微生物组来源的抗菌物质卢格杜宁通过前馈机制自我调节其生物合成。

Reetz, Leonie; Schulze, Lukas; Kronenberger, Thales; Selim, Khaled A; Schaefle, Timm; Dema, Taulant; Zipperer, Alexander; Mößner, Jens; Poso, Antti; Grond, Stephanie; Peschel, Andreas; Krismer, Bernhard

Pyrazinyl-Substituted Aminoazoles as Covalent Inhibitors of Thrombin: Synthesis, Structure, and Anticoagulant Properties

吡嗪基取代的氨基唑类化合物作为凝血酶共价抑制剂:合成、结构和抗凝血性能

Imberg, Lukas; Siutkina, Alena I; Erbacher, Catharina; Schmidt, Judith; Broekmans, Darius F; Ovsepyan, Ruzanna A; Daniliuc, Constantin G; Gonçalves de Oliveira, Ellen; Serafim, Mateus Sá Magalhães; O'Donoghue, Anthony J; Pillaiyar, Thanigaimalai; Panteleev, Mikhail A; Poso, Antti; Kalinina, Svetlana A; Bermúdez, Marcel; Nekipelov, Katrin; Bendas, Gerd; Karst, Uwe; Kalinin, Dmitrii V

A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2

剧情出现转折:从JAK3中酪氨酸的共价靶向转变为MK2中赖氨酸的共价靶向。

Hillebrand, Laura; Wang, Guiqun; Rasch, Alexander; Masberg, Benedikt; Chaikuad, Apirat; Kronenberger, Thales; Günther, Ellen; Forster, Michael; Poso, Antti; Lämmerhofer, Michael; Laufer, Stefan A; Knapp, Stefan; Gehringer, Matthias

First-in-class MKK4 inhibitors enhance liver regeneration and prevent liver failure.

首创的 MKK4 抑制剂可增强肝脏再生并预防肝衰竭

Zwirner Stefan, Abu Rmilah Anan A, Klotz Sabrina, Pfaffenroth Bent, Kloevekorn Philip, Moschopoulou Athina A, Schuette Svenja, Haag Mathias, Selig Roland, Li Kewei, Zhou Wei, Nelson Erek, Poso Antti, Chen Harvey, Amiot Bruce, Jia Yao, Minshew Anna, Michalak Gregory, Cui Wei, Rist Elke, Longerich Thomas, Jung Birgit, Felgendreff Philipp, Trompak Omelyan, Premsrirut Prem K, Gries Katharina, Muerdter Thomas E, Heinkele Georg, Wuestefeld Torsten, Shapiro David, Weissbach Markus, Koenigsrainer Alfred, Sipos Bence, Ab Eiso, Zacarias Magdalena Ortiz, Theisgen Stephan, Gruenheit Nicole, Biskup Saskia, Schwab Matthias, Albrecht Wolfgang, Laufer Stefan, Nyberg Scott, Zender Lars