Ekaterina D. Kots

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 4

Top Topics

Protein Folding

Process Control

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

Publications

Harshita Sahni, Hector Carrillo-Cabada, Ekaterina D. Kots, Silvina Caíno-Lores, Jack Marquez, Ewa Deelman, Michel A. Cuendet, Harel Weinstein, Michela Taufer, Trilce Estrada
Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations. e-Science (2023)
Silvina Caíno-Lores, Michel A. Cuendet, Jack Marquez, Ekaterina D. Kots, Trilce Estrada, Ewa Deelman, Harel Weinstein, Michela Taufer
Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables. PASC (2023)
Ekaterina D. Kots, Maria G. Khrenova, Alexander V. Nemukhin
Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase. J. Chem. Inf. Model. 59 (5) (2019)
Ekaterina D. Kots, Sofya V. Lushchekina, Sergey D. Varfolomeev, Alexander V. Nemukhin
Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase. J. Chem. Inf. Model. 57 (8) (2017)