Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Josef, Melcr"'
Autor:
Apilaasha Tharmasothirajan, Josef Melcr, John Linney, Thomas Gensch, Karin Krumbach, Karla Marlen Ernst, Christopher Brasnett, Paola Poggi, Andrew R. Pitt, Alan D. Goddard, Alexandros Chatgilialoglu, Siewert J. Marrink, Jan Marienhagen
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-14 (2023)
Abstract Microbial synthesis of nutraceutically and pharmaceutically interesting plant polyphenols represents a more environmentally friendly alternative to chemical synthesis or plant extraction. However, most polyphenols are cytotoxic for microorga
Externí odkaz:
https://doaj.org/article/1b0e48c69d814fe79319a30d5008f67e
Autor:
Adéla Melcrová, Sourav Maity, Josef Melcr, Niels A. W. de Kok, Mariella Gabler, Jonne van der Eyden, Wenche Stensen, John S. M. Svendsen, Arnold J. M. Driessen, Siewert J. Marrink, Wouter H. Roos
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-13 (2023)
Abstract Antimicrobial resistance is one of the leading concerns in medical care. Here we study the mechanism of action of an antimicrobial cationic tripeptide, AMC-109, by combining high speed-atomic force microscopy, molecular dynamics, fluorescenc
Externí odkaz:
https://doaj.org/article/dc03a19cfff44e7683a6bac15ecc3668
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-12 (2022)
Membrane permeability of small molecules depends on the composition of the lipid bilayer. Here, authors compare permeability measured on membranes in different physical states and conclude that the yeast membrane exists in a highly ordered phase.
Externí odkaz:
https://doaj.org/article/da70d0d94394488dbf30cfe6d306133a
Autor:
Alexey Bondar, Olga Rybakova, Josef Melcr, Jan Dohnálek, Petro Khoroshyy, Ondřej Ticháček, Štěpán Timr, Paul Miclea, Alina Sakhi, Vendula Marková, Josef Lazar
Publikováno v:
Communications Biology, Vol 4, Iss 1, Pp 1-12 (2021)
Expanding on their previous work, Bondar et al present open source software tools to reliably quantify linear dichroism and determine molecular orientations. They demonstrate the utility of the tools by imaging synthetic lipid vesicles and as well as
Externí odkaz:
https://doaj.org/article/1ddcc28075a347aea94ccfb507f7c9df
Autor:
Josef Melcr, Jean-Philip Piquemal
Publikováno v:
Frontiers in Molecular Biosciences, Vol 6 (2019)
In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules. While the effects of electronic polarization are highly pronounced for mo
Externí odkaz:
https://doaj.org/article/62289478ade34bbabd648443153d43e8
Autor:
Vincent Nieto, Valentina Corradi, Siewert J. Marrink, Matti Javanainen, Peter C. Kroon, Ilpo Vattulainen, Hector Martinez-Seara, D. Peter Tieleman, Alex H. de Vries, Jan Domański, Hanif M. Khan, Robert B. Best, Ilias Patmanidis, Sebastian Thallmair, Ignacio Faustino, Xavier Periole, Jonathan Barnoud, Tsjerk A. Wassenaar, Josef Melcr, Nathalie Reuter, Haleh Abdizadeh, Bart M H Bruininks, Paulo C. T. Souza, Fabian Grünewald, Riccardo Alessandri, Luca Monticelli
Publikováno v:
Nature Methods, 18, 382-388. Nature Publishing Group
Nature Methods
Souza, P C T, Alessandri, R, Barnoud, J, Thallmair, S, Faustino, I, Grünewald, F, Patmanidis, I, Abdizadeh, H, Bruininks, B M H, Wassenaar, T A, Kroon, P C, Melcr, J, Nieto, V, Corradi, V, Khan, H M, Domański, J, Javanainen, M, Martinez-Seara, H, Reuter, N, Best, R B, Vattulainen, I, Monticelli, L, Periole, X, Tieleman, D P, de Vries, A H & Marrink, S J 2021, ' Martini 3 : a general purpose force field for coarse-grained molecular dynamics ', Nature Methods, vol. 18, no. 4, pp. 382-388 . https://doi.org/10.1038/s41592-021-01098-3
Nature Methods
Souza, P C T, Alessandri, R, Barnoud, J, Thallmair, S, Faustino, I, Grünewald, F, Patmanidis, I, Abdizadeh, H, Bruininks, B M H, Wassenaar, T A, Kroon, P C, Melcr, J, Nieto, V, Corradi, V, Khan, H M, Domański, J, Javanainen, M, Martinez-Seara, H, Reuter, N, Best, R B, Vattulainen, I, Monticelli, L, Periole, X, Tieleman, D P, de Vries, A H & Marrink, S J 2021, ' Martini 3 : a general purpose force field for coarse-grained molecular dynamics ', Nature Methods, vol. 18, no. 4, pp. 382-388 . https://doi.org/10.1038/s41592-021-01098-3
The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 (http://cgmartini.nl), with an improved interaction balance, new bead types and expanded ability to include specific inter
Publikováno v:
Journal of Chemical Theory and Computation, 16(1), 738-748. AMER CHEMICAL SOC
Phosphatidylserine (PS) lipids are important signaling molecules and the most common negatively charged lipids in eukaryotic membranes. The signaling can be often regulated by calcium, but its interactions with PS headgroups are not fully understood.
Publikováno v:
Nature Communications, 13(1):1605. Nature Publishing Group
bioRxiv
bioRxiv
Cell membranes provide a selective semi-permeable barrier to the passive transport of molecules. This property differs greatly between organisms. While the cytoplasmic membrane of bacterial cells is highly permeable for weak acids and glycerol, yeast
Autor:
Josef Lazar, Olga Rybakova, Jan Dohnálek, Alina Sakhi, Alexey Bondar, Ondřej Ticháček, Vendula Markova, Paul S. Miclea, Josef Melcr, Štěpán Timr, Petro Khoroshyy
Publikováno v:
Communications biology, 4(1):189. Nature Publishing Group
Communications Biology, Vol 4, Iss 1, Pp 1-12 (2021)
Communications Biology
Communications Biology, Vol 4, Iss 1, Pp 1-12 (2021)
Communications Biology
Fluorescence-detected linear dichroism microscopy allows observing various molecular processes in living cells, as well as obtaining quantitative information on orientation of fluorescent molecules associated with cellular features. Such information
Autor:
Sarah J Routledge, John A. Linney, Eladio Barrio, Josef Melcr, Andrew R. Pitt, Gabriel L. Castiglioni, Javier Alonso-del-Real, Amparo Querol, María Lairón-Peris, Alan D. Goddard
Publikováno v:
Lairón-Peris, M, Castiglioni, G L, Routledge, S J, Alonso-del-Real, J, Linney, J A, Pitt, A R, Melcr, J, Goddard, A D, Barrio, E & Querol, A 2021, ' Adaptive response to wine selective pressures shapes the genome of a Saccharomyces interspecies hybrid ', Microbial genomics . https://doi.org/10.1099/mgen.0.000628
Microbial genomics, 7(8):000628. AMER SOC MICROBIOLOGY
Microbial Genomics
Digital.CSIC. Repositorio Institucional del CSIC
instname
Microbial genomics, 7(8):000628. AMER SOC MICROBIOLOGY
Microbial Genomics
Digital.CSIC. Repositorio Institucional del CSIC
instname
During industrial processes, yeasts are exposed to harsh conditions, which eventually lead to adaptation of the strains. In the laboratory, it is possible to use experimental evolution to link the evolutionary biology response to these adaptation pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad39fdc02942a45c8328162e4681d9cf
https://publications.aston.ac.uk/id/eprint/42982/1/Adaptive_response_to_wine_selective_pressures.pdf
https://publications.aston.ac.uk/id/eprint/42982/1/Adaptive_response_to_wine_selective_pressures.pdf