Allosteric activation of FGFR2 kinase in endometrial cancer: insights from Gaussian accelerated molecular dynamics and the Markov state model

Subhasmita Mahapatra & Parimal Kar · 2026-03-11

The Markov state model identifies significant metastable states of FGFR2 kinase upon phosphorylation and mutation. It also finds the allosteric pathway in the N549K and K659E mutants.

Links
DOIPubMed
Journal
Physical Chemistry Chemical Physics
TL;DR

The results suggest that the mutant systems are more stable than the wild-type ones, which may aid in better therapeutic intervention against endometrial cancer.

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Institutions
Indian Institute Of Technology Indore
Authors
Subhasmita Mahapatra, Parimal Kar
Funding
Department of Science and Technology, Ministry of Science and Technology, India Grant DST/NSM/ R&D_HPC_Applications/2021/03.18Department of Science and Technology, Ministry of Science and Technology, India Grant SR/FST/LS-I/2020/621Ministry of Education, India Funding