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

Informazioni relative al progetto

AMR-TB

ID dell’accordo di sovvenzione: 823922

DOI

10.3030/823922

Progetto chiuso

Data della firma CE 20 Settembre 2018

Data di avvio 1 Febbraio 2019

Data di completamento 31 Maggio 2025

Finanziato da

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Costo totale

€ 731 400,00

Contributo UE

€ 731 400,00

Coordinato da

ASTON UNIVERSITY
United Kingdom

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

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).

Pubblicazioni

Peer reviewed articles (16)

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

Autori: Vladimir S. Farafonov, Michael Stich, Dmitry A. Nerukh
Pubblicato in: Journal of Chemical Theory and Computation, Numero 19, 2023, Pagina/e 7924-7933, ISSN 1549-9618
Editore: 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>

Autori: 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
Pubblicato in: Genome Biology and Evolution, Numero 17, 2025, ISSN 1759-6653
Editore: Oxford University Press
DOI: 10.1093/gbe/evaf120

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

Autori: Vladimir S. Farafonov; Michael Stich; Dmitry Nerukh
Pubblicato in: Crossref, Numero 5, 2022, ISSN 1364-5498
Editore: Royal Society of Chemistry
DOI: 10.1039/d2fd00053a

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

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

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

Autori: Sergey A. Karabasov, Mihail A. Zaitsev, Dmitry A. Nerukh
Pubblicato in: Scientific Reports, Numero 13, 2023, ISSN 2045-2322
Editore: 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

Autori: 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
Pubblicato in: Journal of Chemical &amp; Engineering Data, Numero 70, 2025, Pagina/e 3837-3850, ISSN 0021-9568
Editore: American Chemical Society
DOI: 10.1021/acs.jced.5c00146

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

Autori: Ekaterina Maximova; Eugene B. Postnikov; Anastasia I. Lavrova; Vladimir Farafonov; Dmitry Nerukh
Pubblicato in: J. Phys. Chem. Lett, Numero 3, 2021, ISSN 0002-7863
Editore: 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

Autori: Natalya Vodolazkaya, Anna Laguta, Vladimir Farafonov, Marina Nikolskaya, Zita Balklava, Reza Khayat, Michael Stich, Nikolay Mchedlov-Petrossyan, Dmitry Nerukh
Pubblicato in: Journal of Molecular Liquids, Numero 387, 2025, Pagina/e 122644, ISSN 0167-7322
Editore: 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

Autori: Elvira Tarasova, Noriaki Okimoto, Shanshan Feng, Dmitry Nerukh, Reza Khayat, Makoto Taiji
Pubblicato in: Physical Chemistry Chemical Physics, Numero 23, 2024, Pagina/e 24617-24626, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d1cp02874j

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

Autori: Nataliia Atamas, Dmytro Gavryushenko, Vitaly Bardik, Kirill Taradii, Maxim Lazarenko, Oleksander Alekseev, Julie Renea Gearheart, Anna Miroshnichenko, Gennadiy Taranyik
Pubblicato in: Pramana, Numero 94, 2021, ISSN 0304-4289
Editore: 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

Autori: 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
Pubblicato in: The Ukrainian Biochemical Journal, Numero 97, 2025, Pagina/e 75-79, ISSN 2409-4943
Editore: 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

Autori: M. Bakumenko, V. Bardik, V. Farafonov, D. Nerukh
Pubblicato in: Ukrainian Journal of Physics, Numero 69, 2024, Pagina/e 269, ISSN 2071-0194
Editore: 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

Autori: V. Bardik, Anatoliy I. Fisenko, Salvatore Magazu, Nikolay P. Malomuzh
Pubblicato in: Journal of Molecular Liquids, Numero 306, 2025, Pagina/e 112818, ISSN 0167-7322
Editore: 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

Autori: M. Bakumenko, V. Bardik, D. Nerukh
Pubblicato in: Ukrainian Journal of Physics, Numero 68, 2024, Pagina/e 517, ISSN 2071-0194
Editore: 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

Autori: Anna Laguta, Natalya Vodolazkaya, Dmitry Nerukh
Pubblicato in: Journal of Chemical Education, Numero 101, 2024, Pagina/e 1190-1197, ISSN 0021-9584
Editore: American Chemical Society
DOI: 10.1021/acs.jchemed.3c00948

Protein–Ligand Dissociation Rate Constant from All-Atom Simulation

Autori: Ekaterina Maximova, Eugene B. Postnikov, Anastasia I. Lavrova, Vladimir Farafonov, Dmitry Nerukh
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 12, 2023, Pagina/e 10631-10636, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.1c02952