Statistical Inference of Rate Constants in Chemical and Biochemical Reaction Networks Using an “Inverse” Event-Driven Kinetic Monte Carlo Method

Author:

Diamataris Ioannis G.1,Peristeras Loukas D.2ORCID,Papavasileiou Konstantinos D.345ORCID,Melissas Vasilios S.6,Boulougouris Georgios C.1ORCID

Affiliation:

1. Laboratory of Computational Physical-Chemistry, Department of Molecular Biology and Genetics, University of Thrace, Alexandroupoulis GR-681 00, Greece

2. Institute of Nanoscience and Nanotechnology, Molecular Thermodynamics and Modelling of Materials Laboratory, National Center for Scientific Research “Demokritos”, Attikis, Agia Paraskevi GR-153 10, Greece

3. Department of ChemoInformatics, NovaMechanics Ltd., Nicosia CY-1070, Cyprus

4. Division of Data Driven Innovation, Entelos Institute, Larnaca CY-6059, Cyprus

5. Department of ChemoInformatics, NovaMechanics MIKE., Piraeus GR-185 45, Greece

6. Department of Chemistry, University of Ioannina, Ioannina GR-451 10, Greece

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

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