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ORCIDEkaterina D. Kots
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2020 – today
- 2023
[c2]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: 1-10- [c1]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: 21:1-21:11
2010 – 2019
- 2019
- [j2]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): 2299-2308 (2019) - 2017
- [j1]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): 1999-2008 (2017)
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