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

Resistance to Allosteric Inhibitors

对变构抑制剂的耐药性

Outhwaite, Ian R; Kwan, Isabelle; Leyte-Vidal, Ariel; Shah, Neil P; Bahar, Ivet; Seeliger, Markus A

Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding

前瞻性评估基于结构的模拟揭示了其预测激酶突变对抑制剂结合影响的能力

Singh, Sukrit; Gapsys, Vytautas; Aldeghi, Matteo; Schaller, David; Rangwala, Aziz M; White, Jessica B; Bluck, Joseph P; Scheen, Jenke; Glass, William G; Guo, Jiaye; Hayat, Sikander; de Groot, Bert L; Volkamer, Andrea; Christ, Clara D; Seeliger, Markus A; Chodera, John D

Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding

对基于结构的模拟的前瞻性评估表明,它们能够预测激酶突变对抑制剂结合的影响。

Singh, Sukrit; Gapsys, Vytautas; Aldeghi, Matteo; Schaller, David; Rangwala, Aziz M; White, Jessica B; Bluck, Joseph P; Scheen, Jenke; Glass, William G; Guo, Jiaye; Hayat, Sikander; de Groot, Bert L; Volkamer, Andrea; Christ, Clara D; Seeliger, Markus A; Chodera, John D

Absence of ABL1 exon 2-encoded SH3 residues in BCR::ABL1 destabilizes the autoinhibited kinase conformation and confers resistance to asciminib

BCR::ABL1中ABL1外显子2编码的SH3残基的缺失会破坏自身抑制的激酶构象,并赋予其对阿西米尼的耐药性。

Leyte-Vidal, Ariel; DeFilippis, RosaAnna; Outhwaite, Ian R; Kwan, Isabelle; Lee, Ji Young; Leavitt, Carlyn; Miller, Kaeli B; Rea, Delphine; Rangwala, Aziz M; Lou, Kevin; Patel, Suhana; Alvarez, Ailin; Shokat, Kevan M; Bahar, Ivet; Seeliger, Markus A; Shah, Neil P

All the mutations that are fit to die

所有适合死亡的突变

Gebauer, Emma; Seeliger, Markus A

Allo-targeting of the kinase domain: Insights from in silico studies and comparison with experiments

激酶结构域的异体靶向:来自计算机模拟研究的启示及与实验的比较

Lee, Ji Young; Gebauer, Emma; Seeliger, Markus A; Bahar, Ivet

The C1q and gC1qR axis as a novel checkpoint inhibitor in cancer

C1q 和 gC1qR 轴作为癌症中一种新型的检查点抑制剂

Ghebrehiwet, Berhane; Zaniewski, Michal; Fernandez, Audrey; DiGiovanni, Mathew; Reyes, Tiana N; Ji, Ping; Savitt, Anne G; Williams, Jennie L; Seeliger, Markus A; Peerschke, Ellinor I B

Calculating Protein-Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling

基于状态预测信息瓶颈的增强采样计算蛋白质-配体停留时间

Lee, Suemin; Wang, Dedi; Seeliger, Markus A; Tiwary, Pratyush

Calculating Protein-Ligand Residence Times Through State Predictive Information Bottleneck based Enhanced Sampling

基于状态预测信息瓶颈的增强采样计算蛋白质-配体停留时间

Lee, Suemin; Wang, Dedi; Seeliger, Markus A; Tiwary, Pratyush

Probing conformational dynamics to understand kinase inhibition

通过探测构象动力学来了解激酶抑制

Outhwaite, Ian R; Seeliger, Markus A