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The Journal of Organic Chemistry
|
June 1, 2012
Theoretical study on HF elimination and aromatization mechanisms: a case of pyridoxal 5' phosphate-dependent enzyme
Hatice Gökcan, F Aylin Sungur Konuklar
Journal of Molecular Graphics & Modelling
|
June 16, 2014
Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions
Hatice Gökcan, F Aylin Sungur Konuklar
Proteins
|
January 23, 2016
Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes
Hatice Gökcan, Gerald Monard, F Aylin Sungur Konuklar
Journal of Chemical Theory and Computation
|
March 26, 2019
LICHEM 1.1: Recent Improvements and New Capabilities
Hatice Gökcan, Erik Antonio Vázquez-Montelongo, G Andrés Cisneros
The Journal of Physical Chemistry Letters
|
May 19, 2018
QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential
Hatice Gökcan, Eric Kratz, Thomas A Darden, et al.
Chemical Science
|
May 26, 2023
Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects
Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Organic Chemistry
|
June 1, 2012
Theoretical study on HF elimination and aromatization mechanisms: a case of pyridoxal 5' phosphate-dependent enzyme
Hatice Gökcan, F Aylin Sungur Konuklar
Journal of Molecular Graphics & Modelling
|
June 16, 2014
Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions
Hatice Gökcan, F Aylin Sungur Konuklar
Proteins
|
January 23, 2016
Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes
Hatice Gökcan, Gerald Monard, F Aylin Sungur Konuklar
Journal of Chemical Theory and Computation
|
March 26, 2019
LICHEM 1.1: Recent Improvements and New Capabilities
Hatice Gökcan, Erik Antonio Vázquez-Montelongo, G Andrés Cisneros
The Journal of Physical Chemistry Letters
|
May 19, 2018
QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential
Hatice Gökcan, Eric Kratz, Thomas A Darden, et al.
Chemical Science
|
May 26, 2023
Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects
Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua, et al.
Page
of 1