Theoretical and computational investigation of tuberculosis antimicrobial resistance development based on extensive experimental library of mycobacterium strains

Project Information

AMR-TB

Grant agreement ID: 823922

DOI

10.3030/823922

Project closed

EC signature date 20 September 2018

Start date 1 February 2019

End date 31 May 2025

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 731 400,00

EU contribution

€ 731 400,00

Coordinated by

ASTON UNIVERSITY
United Kingdom

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (2)

Fitness landscape of resistant strains, publications

D4.2 Fitness landscape of resistant strains (month 12).

Mechanism of INH binding, estimates of the affinity constant, publications

D2.2 Mechanism of INH binding, estimates of the affinity constant (month 30).

Other (1)

Project website and project Web 2.0 presence

D5.1 Project website and project Web 2.0 presence (month 3).

Publications

Peer reviewed articles (16)

Complete Virion Simulated: All-Atom Model of an MS2 Bacteriophage with Native Genome

Author(s): Vladimir S. Farafonov, Michael Stich, Dmitry A. Nerukh
Published in: Journal of Chemical Theory and Computation, Issue 19, 2023, Page(s) 7924-7933, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.3c00846

Fitness Effect of the Isoniazid Resistance Mutation S315T of the Catalase-Peroxidase Enzyme KatG of <i>Mycobacterium tuberculosis</i>

Author(s): Ugo Bastolla, Mikhail Rotkevich, Miguel Arenas, Manuel Arrayás, Marine Dogonadze, Anastasia Lavrova, Jorge Molina-Sejas, Michaël Tadesse, Ramón Xulvi-Brunet, Jonathan A G Cox, Dmitry Nerukh, Natalia González-Benítez, Michael Stich
Published in: Genome Biology and Evolution, Issue 17, 2025, ISSN 1759-6653
Publisher: Oxford University Press
DOI: 10.1093/gbe/evaf120

Reconstruction and validation of entire virus model with complete genome from mixed resolution cryo-EM density

Author(s): Vladimir S. Farafonov; Michael Stich; Dmitry Nerukh
Published in: Crossref, Issue 5, 2022, ISSN 1364-5498
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2fd00053a

WATER DYNAMICS AND STABILITY OF MAJOR BLOOD PROTEINS AT PRE-DENATURATION STAGE

Author(s): Natalia Atamas, Vitalii Y. Bardik, Serhiy Komisarenko, Yevgen M. Makogonenko, Edward V. Lugovskoi, Nikolai P. Malomuzh, Dmitry A. Nerukh, Pavlo K. Solonin
Published in: AAPP, 2019, ISSN 1825-1242
Publisher: AAPP
DOI: 10.1478/aapp.97s2a16

The nut-and-bolt motion of a bacteriophage sliding along a bacterial flagellum: a complete hydrodynamics model

Author(s): Sergey A. Karabasov, Mihail A. Zaitsev, Dmitry A. Nerukh
Published in: Scientific Reports, Issue 13, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-023-36186-1

Comprehensive Physicochemical Investigation of the Water-Soluble Adduct of C_<b>60</b> with <scp>l</scp>-Methionine (C_<b>60</b>(C_<b>5</b>H_<b>11</b>NO_<b>2</b>S)_<b>3</b>): Important Data for Further Applications

Author(s): Konstantin N. Semenov, Ali Mlhem, Alexander V. Akentiev, Dmitry A. Nerukh, Natalia V. Petukhova, Ilnaz T. Rakipov, Kirill V. Timoshchuk, Gleb O. Iurev, Andrey V. Petrov, Igor V. Murin, Nikolay A. Charykov, Olga S. Vezo, Anastasia V. Penkova, Dilafruz K. Kholmurodova, Jasur A. Rizaev, Aziz S. Kubaev, Vladimir V. Sharoyko
Published in: Journal of Chemical &amp; Engineering Data, Issue 70, 2025, Page(s) 3837-3850, ISSN 0021-9568
Publisher: American Chemical Society
DOI: 10.1021/acs.jced.5c00146

Protein-Ligand Dissociation Rate Constant from All-Atom Simulation.

Author(s): Ekaterina Maximova; Eugene B. Postnikov; Anastasia I. Lavrova; Vladimir Farafonov; Dmitry Nerukh
Published in: J. Phys. Chem. Lett, Issue 3, 2021, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.21203/rs.3.rs-816562/v1

Influence of various colloidal surfactants on the stability of MS2 bacteriophage suspension. The charge distribution on the PCV2 virus surface

Author(s): Natalya Vodolazkaya, Anna Laguta, Vladimir Farafonov, Marina Nikolskaya, Zita Balklava, Reza Khayat, Michael Stich, Nikolay Mchedlov-Petrossyan, Dmitry Nerukh
Published in: Journal of Molecular Liquids, Issue 387, 2025, Page(s) 122644, ISSN 0167-7322
Publisher: Elsevier BV
DOI: 10.1016/j.molliq.2023.122644

Constant pH molecular dynamics of porcine circovirus 2 capsid protein reveals a mechanism for capsid assembly

Author(s): Elvira Tarasova, Noriaki Okimoto, Shanshan Feng, Dmitry Nerukh, Reza Khayat, Makoto Taiji
Published in: Physical Chemistry Chemical Physics, Issue 23, 2024, Page(s) 24617-24626, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cp02874j

The influence of radiation emission on the thermodynamic and structural dynamic properties of liquid biosystems

Author(s): Nataliia Atamas, Dmytro Gavryushenko, Vitaly Bardik, Kirill Taradii, Maxim Lazarenko, Oleksander Alekseev, Julie Renea Gearheart, Anna Miroshnichenko, Gennadiy Taranyik
Published in: Pramana, Issue 94, 2021, ISSN 0304-4289
Publisher: Indian Academy of Sciences
DOI: 10.1007/s12043-020-01946-5

Paralogism in the interpretation of thrombogram obtained with the thrombin generation assay of human blood plasma

Author(s): null null, Ye. M. Makogonenko, V. O. Chernyshenko, null null, V. Yu. Bardyk, null null, А. V. Udovenko, null null, S. V. Komisarenko, null null
Published in: The Ukrainian Biochemical Journal, Issue 97, 2025, Page(s) 75-79, ISSN 2409-4943
Publisher: National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)
DOI: 10.15407/ubj97.01.075

The Multiscale Hybrid Method with a Localized Constraint. II. Hybrid Equations of Motion Based on Variational Principles

Author(s): M. Bakumenko, V. Bardik, V. Farafonov, D. Nerukh
Published in: Ukrainian Journal of Physics, Issue 69, 2024, Page(s) 269, ISSN 2071-0194
Publisher: National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)
DOI: 10.15407/ujpe69.4.269

The crucial role of water in the formation of the physiological temperature range for warm-blooded organisms

Author(s): V. Bardik, Anatoliy I. Fisenko, Salvatore Magazu, Nikolay P. Malomuzh
Published in: Journal of Molecular Liquids, Issue 306, 2025, Page(s) 112818, ISSN 0167-7322
Publisher: Elsevier BV
DOI: 10.1016/j.molliq.2020.112818

The Multiscale Hybrid Method with a Localized Constraint. I. A Modified Control Volume Function for the Hybridized Mass and Momentum Equations

Author(s): M. Bakumenko, V. Bardik, D. Nerukh
Published in: Ukrainian Journal of Physics, Issue 68, 2024, Page(s) 517, ISSN 2071-0194
Publisher: National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)
DOI: 10.15407/ujpe68.8.517

The Spectrophotometric Determination of the Patchy Surface Potential of Viruses Using pH-Sensitive Molecular Probes

Author(s): Anna Laguta, Natalya Vodolazkaya, Dmitry Nerukh
Published in: Journal of Chemical Education, Issue 101, 2024, Page(s) 1190-1197, ISSN 0021-9584
Publisher: American Chemical Society
DOI: 10.1021/acs.jchemed.3c00948

Protein–Ligand Dissociation Rate Constant from All-Atom Simulation

Author(s): Ekaterina Maximova, Eugene B. Postnikov, Anastasia I. Lavrova, Vladimir Farafonov, Dmitry Nerukh
Published in: The Journal of Physical Chemistry Letters, Issue 12, 2023, Page(s) 10631-10636, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c02952