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

Computer-aided structural modeling and drug discovery for G-protein-coupled receptors in the age of artificial intelligence

人工智能时代G蛋白偶联受体的计算机辅助结构建模和药物发现

Novack, Sabina; Filizola, Marta

Engineering molecularly imprinted polymers for receptor-specific cancer therapeutics

构建用于受体特异性癌症治疗的分子印迹聚合物

Wang, Jialing; Novack, Sabina; Li, Jihong; Niejadlik, Emily G; Bournazos, Stylianos; Coller, Barry S; Filizola, Marta; Tiwari, Shreya; Hutchinson, Charles L; Singla, Pankaj; Rintoul, Robert C; Witney, Timothy H; Turner, Nicholas W; Peeters, Marloes

Synthesis and Characterization of Photoswitchable Covalent Ligands for the β(2)-Adrenoceptor

β(2)-肾上腺素受体光开关共价配体的合成与表征

Wirth, Ulrike; Neu, Eduard; Provasi, Davide; Feustel, Steffen; Schmidt, Maximilian F; Hübner, Harald; Weikert, Dorothée; Filizola, Marta; König, Burkhard; Gmeiner, Peter

Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways

对GPCR分子动力学数据的大规模研究揭示了变构位点和侧向通道

Aranda-García, David; Stepniewski, Tomasz Maciej; Torrens-Fontanals, Mariona; García-Recio, Adrian; Lopez-Balastegui, Marta; Medel-Lacruz, Brian; Morales-Pastor, Adrián; Peralta-García, Alejandro; Dieguez-Eceolaza, Miguel; Sotillo-Nuñez, David; Ding, Tianyi; Drabek, Matthäus; Jacquemard, Célien; Jakowiecki, Jakub; Jespers, Willem; Jiménez-Rosés, Mireia; Jun-Yu-Lim, Víctor; Nicoli, Alessandro; Orzel, Urszula; Shahraki, Aida; Tiemann, Johanna K S; Ledesma-Martin, Vicente; Nerín-Fonz, Francho; Suárez-Dou, Sergio; Canal, Oriol; Pándy-Szekeres, Gáspár; Mao, Jiafei; Gloriam, David E; Kellenberger, Esther; Latek, Dorota; Guixà-González, Ramon; Gutiérrez-de-Terán, Hugo; Tikhonova, Irina G; Hildebrand, Peter W; Filizola, Marta; Babu, M Madan; Di Pizio, Antonella; Filipek, Slawomir; Kolb, Peter; Cordomi, Arnau; Giorgino, Toni; Marti-Solano, Maria; Selent, Jana

Structural basis for saxitoxin congener binding and neutralization by anuran saxiphilins.

无尾目石房蛤毒素结合蛋白对石房蛤毒素同系物结合和中和的结构基础

Zakrzewska Sandra, Nixon Samantha A, Chen Zhou, Hajare Holly S, Park Elizabeth R, Mulcahy John V, Arlinghaus Kandis M, Neu Eduard, Konovalov Kirill, Provasi Davide, Leighfield Tod A, Filizola Marta, Du Bois J, Minor Daniel L Jr

Fine-Tuned Deep Transfer Learning Models for Large Screenings of Safer Drugs Targeting Class A GPCRs

用于大规模筛选靶向A类GPCR的更安全药物的精细化深度迁移学习模型

Provasi, Davide; Filizola, Marta

BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects Across Class A GPCRs

BOLD-GPCRs:一款基于Transformer的预测A类GPCR配体生物活性和突变效应的应用程序

Provasi, Davide; Konovalov, Kirill; Riina, Nicholas; Cullen, Olivia; Filizola, Marta

Structural and dynamic studies uncover a distinct allosteric modulatory site at the μ-opioid receptor

结构和动力学研究揭示了μ-阿片受体上一个独特的变构调节位点。

Zhang, Haonan; Konovalov, Kirill; Parpounas, Alexandra K; Provasi, Davide; Yang, Shifan; Abraham, Alejandro; Warren, Audrey L; Zilberg, Gregory; Wang, Suri; Filizola, Marta; Wacker, Daniel

Can Targeting the Sodium Site via Water Molecules Lead to the Development of Safer Opioids?

通过水分子靶向钠位点能否开发出更安全的阿片类药物?

Wacker, Daniel; Filizola, Marta

Structural basis for partial agonism in 5-HT(3A) receptors

5-HT(3A)受体部分激动作用的结构基础

Felt, Kevin; Stauffer, Madeleine; Salas-Estrada, Leslie; Guzzo, Peter R; Xie, Dejian; Huang, Jinkun; Filizola, Marta; Chakrapani, Sudha