Hatice Gokcan

Chemistry

Gerald Monard	grad student		Université de Lorraine
G. Andres Cisneros	post-doc	2018	University of North Texas

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Jaffrelot Inizan T, Plé T, Adjoua O, et al. (2023) Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects. Chemical Science. 14: 5438-5452
Koleva BN, Gokcan H, Rizzo AA, et al. (2019) Dynamics of the E. coli β-Clamp Dimer Interface and Its Influence on DNA Loading. Biophysical Journal
Gokcan H, Vazquez Montelongo EA, Cisneros GA. (2019) LICHEM 1.1: Recent Improvements and New Capabilities. Journal of Chemical Theory and Computation
Marion A, Gokcan H, Monard G. (2018) SemiEmpirical Born-Oppenheimer Molecular Dynamics (SEBOMD) Within the Amber Biomolecular Package. Journal of Chemical Information and Modeling
Gokcan H, Kratz EG, Darden TA, et al. (2018) QM/MM Simulations with the Gaussian Electrostatic Model, A Density-Based Polarizable Potential. The Journal of Physical Chemistry Letters
Gökcan H, Monard G, Sungur Konuklar FA. (2016) Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes. Proteins. 84: 875-91