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

PPIscreenML is a method for structure-based screening of protein-protein interactions using AlphaFold

PPIscreenML 是一种利用 AlphaFold 进行基于结构的蛋白质-蛋白质相互作用筛选的方法。

Mischley, Victoria; Maier, Johannes; Chen, Jesse; Karanicolas, John

Variation at the R181 residue of p53 confers loss of p53 DNA binding cooperativity with the retention of mitochondrial-associated apoptosis.

p53 R181 残基的变异导致 p53 DNA 结合协同作用丧失,但线粒体相关细胞凋亡仍得以保留

Moses Renyta, Indeglia Alexandra, Levine Alison S, Hausler Ryan, Kelly Gregory, Miller Sven A, Anez Isabel, Heller Melissa, Delgado Rosella, Orr Caitlin, Kohlmann Wendy, Naumer Anne, Vagher Jennie, Cahill Sophie R, Maese Luke D, Karanicolas John, Garber Judy E, Murphy Maureen E, Maxwell Kara N

vScreenML v2.0: Improved Machine Learning Classification for Reducing False Positives in Structure-Based Virtual Screening

vScreenML v2.0:改进的机器学习分类,用于减少基于结构的虚拟筛查中的假阳性

Andrianov, Grigorii V; Haroldsen, Emeline; Karanicolas, John

PPIscreenML: Structure-based screening for protein-protein interactions using AlphaFold

PPIscreenML:基于AlphaFold的蛋白质-蛋白质相互作用结构筛选

Mischley, Victoria; Maier, Johannes; Chen, Jesse; Karanicolas, John

Secreted folate receptor γ drives fibrogenesis in metabolic dysfunction-associated steatohepatitis by amplifying TGFβ signaling in hepatic stellate cells

分泌型叶酸受体γ通过增强肝星状细胞中的TGFβ信号通路,促进代谢功能障碍相关性脂肪性肝炎中的纤维化。

Quinn, Connor; Rico, Mario C; Merali, Carmen; Barrero, Carlos A; Perez-Leal, Oscar; Mischley, Victoria; Karanicolas, John; Friedman, Scott L; Merali, Salim

Poor Generalization by Current Deep Learning Models for Predicting Binding Affinities of Kinase Inhibitors

当前深度学习模型在预测激酶抑制剂结合亲和力方面泛化能力较差

Ong, Wern Juin Gabriel; Kirubakaran, Palani; Karanicolas, John

Integrative genome-wide analysis reveals EIF3A as a key downstream regulator of translational repressor protein Musashi 2 (MSI2)

整合基因组分析揭示 EIF3A 是翻译抑制蛋白 Musashi 2 (MSI2) 的关键下游调控因子

Karmakar, Shilpita; Ramirez, Oscar; Paul, Kiran V; Gupta, Abhishek K; Kumari, Vandana; Botti, Valentina; de Los Mozos, Igor Ruiz; Neuenkirchen, Nils; Ross, Robert J; Karanicolas, John; Neugebauer, Karla M; Pillai, Manoj M

Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging

通过计算片段合并高效搜索激酶抑制剂化学空间中的先导化合物

Andrianov, Grigorii V; Gabriel Ong, Wern Juin; Serebriiskii, Ilya; Karanicolas, John

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Rosetta中的大分子建模与设计:最新方法和框架

Leman, Julia Koehler; Weitzner, Brian D; Lewis, Steven M; Adolf-Bryfogle, Jared; Alam, Nawsad; Alford, Rebecca F; Aprahamian, Melanie; Baker, David; Barlow, Kyle A; Barth, Patrick; Basanta, Benjamin; Bender, Brian J; Blacklock, Kristin; Bonet, Jaume; Boyken, Scott E; Bradley, Phil; Bystroff, Chris; Conway, Patrick; Cooper, Seth; Correia, Bruno E; Coventry, Brian; Das, Rhiju; De Jong, René M; DiMaio, Frank; Dsilva, Lorna; Dunbrack, Roland; Ford, Alexander S; Frenz, Brandon; Fu, Darwin Y; Geniesse, Caleb; Goldschmidt, Lukasz; Gowthaman, Ragul; Gray, Jeffrey J; Gront, Dominik; Guffy, Sharon; Horowitz, Scott; Huang, Po-Ssu; Huber, Thomas; Jacobs, Tim M; Jeliazkov, Jeliazko R; Johnson, David K; Kappel, Kalli; Karanicolas, John; Khakzad, Hamed; Khar, Karen R; Khare, Sagar D; Khatib, Firas; Khramushin, Alisa; King, Indigo C; Kleffner, Robert; Koepnick, Brian; Kortemme, Tanja; Kuenze, Georg; Kuhlman, Brian; Kuroda, Daisuke; Labonte, Jason W; Lai, Jason K; Lapidoth, Gideon; Leaver-Fay, Andrew; Lindert, Steffen; Linsky, Thomas; London, Nir; Lubin, Joseph H; Lyskov, Sergey; Maguire, Jack; Malmström, Lars; Marcos, Enrique; Marcu, Orly; Marze, Nicholas A; Meiler, Jens; Moretti, Rocco; Mulligan, Vikram Khipple; Nerli, Santrupti; Norn, Christoffer; Ó'Conchúir, Shane; Ollikainen, Noah; Ovchinnikov, Sergey; Pacella, Michael S; Pan, Xingjie; Park, Hahnbeom; Pavlovicz, Ryan E; Pethe, Manasi; Pierce, Brian G; Pilla, Kala Bharath; Raveh, Barak; Renfrew, P Douglas; Burman, Shourya S Roy; Rubenstein, Aliza; Sauer, Marion F; Scheck, Andreas; Schief, William; Schueler-Furman, Ora; Sedan, Yuval; Sevy, Alexander M; Sgourakis, Nikolaos G; Shi, Lei; Siegel, Justin B; Silva, Daniel-Adriano; Smith, Shannon; Song, Yifan; Stein, Amelie; Szegedy, Maria; Teets, Frank D; Thyme, Summer B; Wang, Ray Yu-Ruei; Watkins, Andrew; Zimmerman, Lior; Bonneau, Richard

Computational Design of an Allosteric Antibody Switch by Deletion and Rescue of a Complex Structural Constellation

通过删除和拯救复杂结构组合来计算设计变构抗体开关

Khowsathit, Jittasak; Bazzoli, Andrea; Cheng, Hong; Karanicolas, John