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

Información del proyecto

AMR-TB

Identificador del acuerdo de subvención: 823922

DOI

10.3030/823922

Proyecto cerrado

Fecha de la firma de la CE 20 Septiembre 2018

Fecha de inicio 1 Febrero 2019

Fecha de finalización 31 Mayo 2025

Financiado con arreglo a

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Coste total

€ 731 400,00

Aportación de la UE

€ 731 400,00

Coordinado por

ASTON UNIVERSITY
United Kingdom

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

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).

Publicaciones

Peer reviewed articles (16)

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

Autores: Vladimir S. Farafonov, Michael Stich, Dmitry A. Nerukh
Publicado en: Journal of Chemical Theory and Computation, Edición 19, 2023, Página(s) 7924-7933, ISSN 1549-9618
Editor: 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>

Autores: 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
Publicado en: Genome Biology and Evolution, Edición 17, 2025, ISSN 1759-6653
Editor: Oxford University Press
DOI: 10.1093/gbe/evaf120

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

Autores: Vladimir S. Farafonov; Michael Stich; Dmitry Nerukh
Publicado en: Crossref, Edición 5, 2022, ISSN 1364-5498
Editor: Royal Society of Chemistry
DOI: 10.1039/d2fd00053a

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

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

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

Autores: Sergey A. Karabasov, Mihail A. Zaitsev, Dmitry A. Nerukh
Publicado en: Scientific Reports, Edición 13, 2023, ISSN 2045-2322
Editor: 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

Autores: 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
Publicado en: Journal of Chemical &amp; Engineering Data, Edición 70, 2025, Página(s) 3837-3850, ISSN 0021-9568
Editor: American Chemical Society
DOI: 10.1021/acs.jced.5c00146

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

Autores: Ekaterina Maximova; Eugene B. Postnikov; Anastasia I. Lavrova; Vladimir Farafonov; Dmitry Nerukh
Publicado en: J. Phys. Chem. Lett, Edición 3, 2021, ISSN 0002-7863
Editor: 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

Autores: Natalya Vodolazkaya, Anna Laguta, Vladimir Farafonov, Marina Nikolskaya, Zita Balklava, Reza Khayat, Michael Stich, Nikolay Mchedlov-Petrossyan, Dmitry Nerukh
Publicado en: Journal of Molecular Liquids, Edición 387, 2025, Página(s) 122644, ISSN 0167-7322
Editor: 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

Autores: Elvira Tarasova, Noriaki Okimoto, Shanshan Feng, Dmitry Nerukh, Reza Khayat, Makoto Taiji
Publicado en: Physical Chemistry Chemical Physics, Edición 23, 2024, Página(s) 24617-24626, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d1cp02874j

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

Autores: Nataliia Atamas, Dmytro Gavryushenko, Vitaly Bardik, Kirill Taradii, Maxim Lazarenko, Oleksander Alekseev, Julie Renea Gearheart, Anna Miroshnichenko, Gennadiy Taranyik
Publicado en: Pramana, Edición 94, 2021, ISSN 0304-4289
Editor: 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

Autores: 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
Publicado en: The Ukrainian Biochemical Journal, Edición 97, 2025, Página(s) 75-79, ISSN 2409-4943
Editor: 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

Autores: M. Bakumenko, V. Bardik, V. Farafonov, D. Nerukh
Publicado en: Ukrainian Journal of Physics, Edición 69, 2024, Página(s) 269, ISSN 2071-0194
Editor: 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

Autores: V. Bardik, Anatoliy I. Fisenko, Salvatore Magazu, Nikolay P. Malomuzh
Publicado en: Journal of Molecular Liquids, Edición 306, 2025, Página(s) 112818, ISSN 0167-7322
Editor: 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

Autores: M. Bakumenko, V. Bardik, D. Nerukh
Publicado en: Ukrainian Journal of Physics, Edición 68, 2024, Página(s) 517, ISSN 2071-0194
Editor: 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

Autores: Anna Laguta, Natalya Vodolazkaya, Dmitry Nerukh
Publicado en: Journal of Chemical Education, Edición 101, 2024, Página(s) 1190-1197, ISSN 0021-9584
Editor: American Chemical Society
DOI: 10.1021/acs.jchemed.3c00948

Protein–Ligand Dissociation Rate Constant from All-Atom Simulation

Autores: Ekaterina Maximova, Eugene B. Postnikov, Anastasia I. Lavrova, Vladimir Farafonov, Dmitry Nerukh
Publicado en: The Journal of Physical Chemistry Letters, Edición 12, 2023, Página(s) 10631-10636, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.1c02952