Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Antonia S J S, Mey"'
Autor:
Georg Tscheuschner, Marco Ponader, Christopher Raab, Prisca S. Weider, Reni Hartfiel, Jan Ole Kaufmann, Jule L. Völzke, Gaby Bosc-Bierne, Carsten Prinz, Timm Schwaar, Paul Andrle, Henriette Bäßler, Khoa Nguyen, Yanchen Zhu, Antonia S. J. S. Mey, Amr Mostafa, Ilko Bald, Michael G. Weller
Publikováno v:
Viruses, Vol 15, Iss 3, p 697 (2023)
The cowpea chlorotic mottle virus (CCMV) is a plant virus explored as a nanotechnological platform. The robust self-assembly mechanism of its capsid protein allows for drug encapsulation and targeted delivery. Additionally, the capsid nanoparticle ca
Externí odkaz:
https://doaj.org/article/7ea9125b32794c749ef2418c1055efeb
Publikováno v:
PLoS ONE, Vol 15, Iss 2, p e0229230 (2020)
The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino acids, the bioc
Externí odkaz:
https://doaj.org/article/2b9109f028474a5eb3f7fbbc9b05cdc4
Autor:
José M Granadino-Roldán, Antonia S J S Mey, Juan J Pérez González, Stefano Bosisio, Jaime Rubio-Martinez, Julien Michel
Publikováno v:
PLoS ONE, Vol 14, Iss 3, p e0213217 (2019)
Hit-to-lead virtual screening frequently relies on a cascade of computational methods that starts with rapid calculations applied to a large number of compounds and ends with more expensive computations restricted to a subset of compounds that passed
Externí odkaz:
https://doaj.org/article/217fcda8e93e43629c6a1c6fac7e330c
Autor:
Yang Luo, Supriya Pratihar, Ellen H. Horste, Sibylle Mitschka, Antonia S. J. S. Mey, Hashim M. Al-Hashimi, Christine Mayr
Publikováno v:
bioRxiv
The cytoplasm is compartmentalized into different translation environments. mRNAs use their 3′UTRs to localize to distinct cytoplasmic compartments, including TIS granules (TGs). Many transcription factors, including MYC, are translated in TGs. It
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::486174d10c7ef912ba953a71f28802f3
https://doi.org/10.1101/2023.02.18.529068
https://doi.org/10.1101/2023.02.18.529068
Publikováno v:
Physical Biology
The mechanisms by which a protein’s 3D structure can be determined based on its amino acid sequence have long been one of the key mysteries of biophysics. Often simplistic models, such as those derived from geometric constraints, capture bulk real-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b00775abc295542cf360b7bbd08feaa7
https://doi.org/10.1088/1478-3975/acd543
https://doi.org/10.1088/1478-3975/acd543
Autor:
David F. Hahn, Christopher I. Bayly, Melissa L Boby, Hannah E. Bruce Macdonald, John D. Chodera, Vytautas Gapsys, Antonia S. J. S. Mey, David L. Mobley, Laura Perez Benito, Christina E. M. Schindler, Gary Tresadern, Gregory L. Warren
Publikováno v:
Living Journal of Computational Molecular Science. 4
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5693453099c24d8dea9ee86db1c6ee1
https://doi.org/10.33011/livecoms.4.1.1497
https://doi.org/10.33011/livecoms.4.1.1497
Publikováno v:
Communications Chemistry, Vol 2, Iss 1, Pp 1-9 (2019)
Wapeesittipan, P, Mey, A S J S, Walkinshaw, M D & Michel, J 2019, ' Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions ', Communications Chemistry, vol. 2, 41 . https://doi.org/10.1038/s42004-019-0136-1
Wapeesittipan, P, Mey, A S J S, Walkinshaw, M D & Michel, J 2019, ' Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions ', Communications Chemistry, vol. 2, 41 . https://doi.org/10.1038/s42004-019-0136-1
This work investigates the connection between stochastic protein dynamics and function for the enzyme cyclophilin A (CypA) in wild-type form, and three variants that feature several mutations distal from the active site. Previous biophysical studies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c283c1eebbeb115063e05c9525c9104
http://link.springer.com/article/10.1038/s42004-019-0136-1
http://link.springer.com/article/10.1038/s42004-019-0136-1
Autor:
Heng Ma, Syed Tarique Moin, Eunice Cho, Moniza Mujtaba, Arvind Ramanathan, Saman Mehmood, Junqi Yin, Khair Bux, Ruhi Anjum, Mariya Soban, Antonia S. J. S. Mey, Debsindhu Bhowmik, Mohammad Tanweer, Margarida Rosa, Alessandro Pandini, Shozeb Haider, Barira Islam, Sarath Chandra Dantu
Publikováno v:
Cho, E, Rosa, M, Anjum, R, Mehmood, S, Soban, M, Mujtaba, M, Bux, K, Moin, S T, Tanweer, M, Dantu, S, Pandini, A, Yin, J, Ma, H, Ramanathan, A, Islam, B, Mey, A S J S, Bhowmik, D & Haider, S 2021, ' Dynamic Profiling of β-Coronavirus 3CL M pro Protease Ligand-Binding Sites ', Journal of Chemical Information and Modeling, vol. 61, no. 6, pp. 3058-3073 . https://doi.org/10.1021/acs.jcim.1c00449
Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling
Data availability statement: The trajectories of Mpro simulations and models of the metastable states can be downloaded from 10.5281/zenodo.4782284. β-coronavirus (CoVs) alone has been responsible for three major global outbreaks in the 21st century
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f8bc29d397569298ede49370bb52ad79
https://hdl.handle.net/20.500.11820/a9513bc4-0e66-4fef-9c4e-5f4f0daa976c
https://hdl.handle.net/20.500.11820/a9513bc4-0e66-4fef-9c4e-5f4f0daa976c
Autor:
Lauren Nelson, Vadiraj Kurdekar, Chris Ringrose, Julien Michel, Joshua T. Horton, Antonia S. J. S. Mey, Sofia Bariami, Daniel J. Cole
Publikováno v:
Nelson, L, Bariami, S, Ringrose, C, Horton, J T, Kurdekar, V, Mey, A S J S, Michel, J & Cole, D J 2021, ' Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations ', Journal of Chemical Information and Modeling, vol. 61, no. 5, pp. 2124–2130 . https://doi.org/10.1021/acs.jcim.1c00328
The quantum mechanical bespoke (QUBE) force-field approach has been developed to facilitate the automated derivation of potential energy function parameters for modeling protein-ligand binding. To date, the approach has been validated in the context
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d867859f5297ffb6c59cda6e08a8c9b8
https://hdl.handle.net/20.500.11820/4feb41b9-b865-457a-aa59-69d04ad9e1dc
https://hdl.handle.net/20.500.11820/4feb41b9-b865-457a-aa59-69d04ad9e1dc
Autor:
Debsindhu Bhowmik, Barira Islam, Arvind Ramanathan, Shozeb Haider, Maria J. Rosa, Antonia S. J. S. Mey, Alessandro Pandini, Heng Ma, Ruhi Anjum, Khair Bux, Junqi Yin, Cho E, Mehmood S, Soban M, Mujtaba M, Sarath Chandra Dantu
This article is a preprint and has not been certified by peer review. It was eventually published online on 14 June 2021 by American Chemical Society (ACS Publications) as: Cho, E. et al. (2021) 'Dynamic Profiling of β-Coronavirus 3CL Mpro Protease
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4afa9691db4a60fac3d051babc80255d
https://doi.org/10.1101/2021.03.31.437918
https://doi.org/10.1101/2021.03.31.437918