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Hatice Gokcan (Hatice Gökcan)

Years Active: 2018-2023
Publications (10 Years): 5

University of North Carolina at Chapel Hill

University of Lorraine (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of North Carolina at Chapel Hill Jan 2o 2019

United States

Postdoctoral Research Associate :: Eshelman School of Pharmacy

Education History

University of Lorraine

France

PHD :: Chemistry

Publications

Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua, Pengyu Ren, Hatice Gokcan, Oleksandr Isaev, Louis Lagardère, Jean-Philip Piquemal
Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects. Chemical science 14 (20) (2023)
Hatice Gokcan, Jirair K Bedoyan, Oleksandr Isaev
Simulations of Pathogenic E1α Variants: Allostery and Impact on Pyruvate Dehydrogenase Complex-E1 Structure and Function. Journal of chemical information and modeling 62 (14) (2022)
Hatice Gokcan, Oleksandr Isaev
Prediction of protein p K a with representation learning. Chemical science 13 (8) (2022)
Hatice Gokcan, Erik Antonio Vázquez-Montelongo, Gerardo Andrés Cisneros
LICHEM 1.1: Recent Improvements and New Capabilities. Journal of chemical theory and computation 15 (5) (2019)
Antoine Marion, Hatice Gokcan, Gerald Monard
Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package. Journal of chemical information and modeling 59 (1) (2018)

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