Ekaterina D. Kots

According to our database, Ekaterina D. Kots authored at least 4 papers between 2017 and 2023.

Collaborative distances:

• Dijkstra number of three.
• Erdős number of four.

2023

Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables.

Silvina Caíno-Lores, Michel A. Cuendet, Jack Marquez, Ekaterina D. Kots, Trilce Estrada, Ewa Deelman, Harel Weinstein, Michela Taufer

Proceedings of the Platform for Advanced Scientific Computing Conference, 2023

Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations.

Harshita Sahni, Hector Carrillo-Cabada, Ekaterina D. Kots, Silvina Caíno-Lores, Jack Marquez, Ewa Deelman, Michel A. Cuendet, Harel Weinstein, Michela Taufer, Trilce Estrada

Proceedings of the 19th IEEE International Conference on e-Science, 2023

2019

Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase.

Ekaterina D. Kots, Maria G. Khrenova, Alexander V. Nemukhin

J. Chem. Inf. Model., 2019

2017

Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase.

Ekaterina D. Kots, Sofya V. Lushchekina, Sergey D. Varfolomeev, Alexander V. Nemukhin

J. Chem. Inf. Model., August, 2017