Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Vladimir Farafonov"'
Autor:
Yuanhao Wu, Babatunde O. Okesola, Jing Xu, Ivan Korotkin, Alice Berardo, Ilaria Corridori, Francesco Luigi Pellerej di Brocchetti, Janos Kanczler, Jingyu Feng, Weiqi Li, Yejiao Shi, Vladimir Farafonov, Yiqiang Wang, Rebecca F. Thompson, Maria-Magdalena Titirici, Dmitry Nerukh, Sergey Karabasov, Richard O. C. Oreffo, Jose Carlos Rodriguez-Cabello, Giovanni Vozzi, Helena S. Azevedo, Nicola M. Pugno, Wen Wang, Alvaro Mata
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-12 (2020)
Self-organising systems have huge potential in device design and fabrication; however, demonstrations of this are limited. Here, the authors report on a combination of disordered proteins and graphene oxide which allows spatio-temporal patterning and
Externí odkaz:
https://doaj.org/article/cde778cd566d46fea19b3a22774617f2
Autor:
Eugene B. Postnikov, Vladimir Farafonov, Anastasia I. Lavrova, Ekaterina Maximova, Dmitry Nerukh
Publikováno v:
The Journal of Physical Chemistry Letters. 12:10631-10636
Dissociation of a ligand isoniazid from a protein catalase was investigated using all-atom molecular dynamics (MD) simulations. Random acceleration MD (τ-RAMD) was used, in which a random artificial force applied to the ligand facilitates its dissoc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3985f43c712b83289d4e1e3efaaf514
https://doi.org/10.1021/acs.jpclett.1c02952
https://doi.org/10.1021/acs.jpclett.1c02952
Autor:
Eugene B. Postnikov, Ekaterina Maximova, Vladimir Farafonov, Anastasia I. Lavrova, Dmitry Nerukh
Publikováno v:
2022 7th International Conference on Intelligent Informatics and Biomedical Science (ICIIBMS).
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::845138d2b53786f70c7d29c73c314db9
https://doi.org/10.1109/iciibms55689.2022.9971653
https://doi.org/10.1109/iciibms55689.2022.9971653
Autor:
Natalya Vodolazkaya, Marina Nikolskaya, Anna Laguta, Vladimir Farafonov, Zita Balklava, Michael Stich, Nikolay Mchedlov-Petrossyan, Dmitry Nerukh
Publikováno v:
The journal of physical chemistry. B. 126(41)
MS2 bacteriophage is often used as a model for evaluating pathogenic viruses' behavior in aqueous solution. However, the questions of the virus surface's hydrophilic/hydrophobic balance, the charge distribution, and the binding mechanism are open. Us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c7f2bd1391a7a5ef96c1e1c7f4c7667
https://pubmed.ncbi.nlm.nih.gov/36198175
https://pubmed.ncbi.nlm.nih.gov/36198175
Autor:
Vladimir V. Sharoyko, Sergei V. Ageev, Nailia R. Iamalova, Konstantin N. Semenov, Anastasia V. Penkova, Gleb O. Iurev, Lubov V. Vasina, Anatolii A. Meshcheriakov, Andrey V. Petrov, Dmitry Nerukh, Vladimir Farafonov
Publikováno v:
The Journal of Physical Chemistry B. 125:9197-9212
Light fullerenes, C60 and C70, have significant potential in biomedical applications due to their ability to absorb reactive oxygen species, inhibit the development of tumors, inactivate viruses and bacteria, and as the basis for developing systems f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::314cffb5bf8a65908cd94d8d99b8900e
https://doi.org/10.1021/acs.jpcb.1c03332
https://doi.org/10.1021/acs.jpcb.1c03332
Publikováno v:
Journal of Chemical Theory and Computation. 16:5852-5865
A compound's acidity constant (Ka) in a given medium determines its protonation state and, thus, its behavior and physicochemical properties. Therefore, it is among the key characteristics considered during the design of new compounds for the needs o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::29f3683e5b86924e615d0a851aa90825
https://doi.org/10.1021/acs.jctc.0c00231
https://doi.org/10.1021/acs.jctc.0c00231
Publikováno v:
Voprosy Khimii i Khimicheskoi Tekhnologii. :97-103
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fadfb04e896c13f6132195d4d3de01cd
https://doi.org/10.32434/0321-4095-2019-128-1-97-103
https://doi.org/10.32434/0321-4095-2019-128-1-97-103
Publikováno v:
French-Ukrainian Journal of Chemistry. 8:76-87
The binding of a series of small organic molecules, acting as agonists of the cannabinoid receptor CB1, was investigated by means of three methods of computational chemistry. Binding modes were predicted by means of molecular docking, and binding fre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0cf1bde96a046aa972609809b65ad388
https://doi.org/10.17721/fujcv8i1p76-87
https://doi.org/10.17721/fujcv8i1p76-87
Autor:
Vladimir Farafonov, Abdelsattar O.E. Abdelhalim, Konstantin N. Semenov, Viktor N. Postnov, Vladimir V. Sharoyko, Andrey V. Petrov, Sergei V. Ageev, Dmitry Nerukh
Publikováno v:
The journal of physical chemistry letters. 12(41)
We present a new modification of graphene oxide with very high content (85 wt %) of oxygen-containing functional groups (hydroxy, epoxy, lactol, carboxyl, and carbonyl groups) that forms stable aqueous dispersion in up to 9 g·L-1 concentration solut
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ae1e2c50d71dcb2f72918c1161ef8a8
https://pubmed.ncbi.nlm.nih.gov/34618465
https://pubmed.ncbi.nlm.nih.gov/34618465
For atomistic scale-resolving simulations of peptide diffusion, which are representative of molecular sorting in micro-fluidic device, a hybrid Fluctuating Hydrodynamics - Molecular Dynamics (FH/MD) model is implemented based on the two-phase flow an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5219e5c2b0628f2eb96e8c0a9472cdd
https://eprints.soton.ac.uk/450203/
https://eprints.soton.ac.uk/450203/
