Hatice Gokcan

6PUBLICATIONS
8CO-AUTHORS
Theoretical quantum chemistryEnergy-efficient computingMedical biochemistry - proteins and peptides (incl. medical proteomics)Proteomics and metabolomicsFormal methods for software
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

|Dec 22, 2025
Machine learning interatomic potentials at the centennial crossroads of quantum mechanics.

Bhupalee Kalita, Hatice Gokcan, Olexandr Isayev

|May 26, 2023
Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects.

Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua

|Jul 07, 2022
Simulations of Pathogenic E1α Variants: Allostery and Impact on Pyruvate Dehydrogenase Complex-E1 Structure and Function.

Hatice Gokcan, Jirair K Bedoyan, Olexandr Isayev

|Mar 21, 2022
Prediction of protein p<i>K</i> <sub>a</sub> with representation learning.

Hatice Gokcan, Olexandr Isayev

|Mar 26, 2019
LICHEM 1.1: Recent Improvements and New Capabilities.

Hatice Gökcan, Erik Antonio Vázquez-Montelongo, G Andrés Cisneros

|Nov 16, 2018
Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package.

Antoine Marion, Hatice Gokcan, Gerald Monard

Pageof 1

Frequent Collaborators

4 joint publications

Olexandr Isayev

1 joint publications

Antoine Marion

1 joint publications

Gerald Monard

1 joint publications

G Andrés Cisneros