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

Crystal structure of fatty acid thioesterase A bound by 129 fragments provides diverse development opportunities

脂肪酸硫酯酶A与129个片段结合的晶体结构提供了多种开发机会

Kot, Ekaterina; Ferla, Matteo Paolo; Hollinshead, Patricia Helen; Tomlinson, Charles William Ernest; Fearon, Daren; Aschenbrenner, Jasmin Cara; Koekemoer, Lizbé; Winokan, Max; Fairhead, Michael; Ni, Xiaomin; Chalk, Rod; England, Katherine Sara; Varga, Laura Ortega; Montgomery, Mark Greer; Mulholland, Nicholas Phillip; von Delft, Frank

Where and how to house big data on small fragments

如何以及在哪里将大数据存储在小块数据中

Erlanson, Daniel A; Burley, Stephen K; Fearon, Daren; Fraser, James S; Kreitler, Dale; Nonato, Maria Cristina; Sakai, Naoki; Wollenhaupt, Jan; Weiss, Manfred S

Combined crystallographic fragment screening and deep mutational scanning enable discovery of Zika virus NS2B-NS3 protease inhibitors

结合晶体学片段筛选和深度突变扫描,可以发现寨卡病毒NS2B-NS3蛋白酶抑制剂。

Ni, Xiaomin; Richardson, R Blake; Godoy, Andre Schutzer; Ferla, Matteo P; Kikawa, Caroline; Scheen, Jenke; Hannon, William W; Capkin, Eda; Lahav, Noa; Balcomb, Blake H; Marples, Peter G; Fairhead, Michael; Wang, SiYi; Williams, Eleanor P; Tomlinson, Charles W E; Aschenbrenner, Jasmin C; Lithgo, Ryan M; Winokan, Max; Giroud, Charline; Dolci, Isabela; Fernandes, Rafaela Sachetto; Oliva, Glaucius; Chandran, Anu V; Xavier, Mary-Ann; Walsh, Martin A; Thompson, Warren; Bloom, Jesse D; Kenton, Nathaniel T; Lee, Alpha A; von Delft, Annette; Barr, Haim; Kirkegaard, Karla; Koekemoer, Lizbé; Fearon, Daren; Evans, Matthew J; von Delft, Frank

Crystallographic Fragment Screening of the Dengue Virus Polymerase Reveals Multiple Binding Sites for the Development of Non-nucleoside Antiflavivirals

登革病毒聚合酶晶体学片段筛选揭示了多个结合位点,可用于开发非核苷类抗黄病毒药物

Saini, Manisha; Aschenbrenner, Jasmin C; Ruiz, Francesc Xavier; Chopra, Ashima; Chandran, Anu V; Marples, Peter G; Balcomb, Blake H; Fearon, Daren; von Delft, Frank; Arnold, Eddy

Crystallographic fragment screening reveals ligand hotspots in TRIM21 PRY-SPRY domain.

晶体学片段筛选揭示了TRIM21 PRY-SPRY结构域中的配体热点

Kim Yeojin, Lučić Aleksandar, Lenz Christopher, Farges Frederic, Schwalm Martin P, Saxena Krishna, Hanke Thomas, Marples Peter G, Aschenbrenner Jasmin C, Fearon Daren, von Delft Frank, Krämer Andreas, Knapp Stefan

Crystallographic fragment screening of the dengue virus polymerase reveals multiple binding sites for the development of non-nucleoside antiflavivirals

登革病毒聚合酶晶体学片段筛选揭示了多个可用于开发非核苷类抗黄病毒药物的结合位点

Saini, Manisha; Aschenbrenner, Jasmin C; Ruiz, Francesc Xavier; Chopra, Ashima; Chandran, Anu V; Marples, Peter G; Balcomb, Blake H; Fearon, Daren; von Delft, Frank; Arnold, Eddy

High-throughput crystallographic fragment screening of Zika virus NS3 Helicase

寨卡病毒NS3解旋酶的高通量晶体学片段筛选

Godoy, Andre Schutzer; Giroud, Charline; Mesquita, Nathalya C M R; Noske, Gabriela Dias; Gawriljuk, Victor Oliveira; Lithgo, Ryan M; Balcomb, Blake H; Aschenbrenner, Jasmin Cara; Tomlinson, Charles W E; Winokan, Max; Scheen, Jenke; MacDermott-Opeskin, Hugo; Marples, Peter George; Chandran, Anu V; Ni, Xiaomin; Thompson, Warren; Fairhead, Michael; Fearon, Daren; Koekemoer, Lizbé; Xavier, Mary-Ann Elvina; Walsh, Martin; Oliva, Glaucius; von Delft, Frank

A Structure-Based Computational Pipeline for Broad-Spectrum Antiviral Discovery

基于结构的广谱抗病毒药物发现计算流程

Castellanos, Maria A; Payne, Alexander M; Scheen, Jenke; MacDermott-Opeskin, Hugo; Pulido, Iván; Balcomb, Blake H; Griffen, Ed J; Fearon, Daren; Barr, Haim; Lahav, Noa; Cousins, David; Stacey, Jessica; Robinson, Ralph; Lefker, Bruce; Chodera, John D

How many crystal structures do you need to trust your docking results?

需要多少个晶体结构才能相信你的对接结果?

Payne, Alexander Matthew; Kaminow, Benjamin; MacDermott-Opeskin, Hugo; Pulido, Iván; Scheen, Jenke; Castellanos, Maria A; Fearon, Daren; Chodera, John D; Singh, Sukrit

Discovery of orally bioavailable Zika and West Nile Virus antiviral compounds targeting the NS2B-NS3 protease

发现可口服生物利用的寨卡病毒和西尼罗病毒抗病毒化合物,这些化合物靶向NS2B-NS3蛋白酶

Kenton, Nathaniel T; Barr, Haim; Cherepakha, Artem; Coelmont, Lotte; Collard, Caroline; Cousins, David; Davies, Geraint H M; Degtyarenko, Oleksii; Dirksen, Andrew; Elbrecht, Daniel; Fearon, Daren; Gayvert, James; Griffen, Edward; Jochmans, Dirk; Kaptein, Suzanne; Kliatskiy, Pavlo; Kochetkov, Artem; Kordubailo, Mykyta; Lahav, Noa; London, Nir; Maas, Elke; Marples, Peter; Nady, Nataliya; Neyts, Johan; Nguyen, Luong; Ni, Xiaomin; Ogorodnik, Yuliia; Robinson, Matthew C; Simpson, Carolina Turk; Tarabara, Ihor; Tkachenko, Anton; von Delft, Annette; von Delft, Frank; Yakymenko, Oleksandr; Lee, Alpha A