Physical Chemistry Chemical Physics

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

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.

Synthesis, crystal structure analysis, computational modelling and evaluation of anti-cervical cancer activity of novel 1,5-dicyclooctyl thiocarbohydrazone

Thiocarbazones as bioactive and pharmaceutical intermediates exhibiting diverse biological and pharmacological activities.