Mert Yigit Sengul

Computational chemistry, computer aided drug design, machine learning

Adri C. van Duin	grad student		Penn State (E-Tree)
Alex MacKerell	post-doc		University of Maryland Baltimore, School of Pharmacy

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Baral P, Sengul MY, MacKerell AD. (2024) Grand canonical Monte Carlo and deep learning assisted enhanced sampling to characterize the distribution of Mg2+ and influence of the Drude polarizable force field on the stability of folded states of the twister ribozyme. The Journal of Chemical Physics. 161
Sengul MY, MacKerell AD. (2022) Accurate modeling of RNA hairpins through the explicit treatment of electronic polarizability with the classical Drude oscillator force field. Journal of Computational Biophysics and Chemistry. 21: 461-471