Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Michal H Kolář"'
Autor:
Joan Giménez-Dejoz, Michal H Kolář, Francesc X Ruiz, Isidro Crespo, Alexandra Cousido-Siah, Alberto Podjarny, Oleg A Barski, Jindřich Fanfrlík, Xavier Parés, Jaume Farrés, Sergio Porté
Publikováno v:
PLoS ONE, Vol 10, Iss 7, p e0134506 (2015)
Human aldo-keto reductase 1B15 (AKR1B15) is a newly discovered enzyme which shares 92% amino acid sequence identity with AKR1B10. While AKR1B10 is a well characterized enzyme with high retinaldehyde reductase activity, involved in the development of
Externí odkaz:
https://doaj.org/article/1a4a15416ca5471abd2d3fbe56a1365c
Publikováno v:
Annual Review of Biophysics
Large biomolecular systems are at the heart of many essential cellular processes. The dynamics and energetics of an increasing number of these systems are being studied by computer simulations. Pushing the limits of length- and timescales that can be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85edcc1748e8d69075450acae4be2e3a
https://hdl.handle.net/21.11116/0000-000C-AD19-621.11116/0000-000D-3DF9-7
https://hdl.handle.net/21.11116/0000-000C-AD19-621.11116/0000-000D-3DF9-7
Autor:
Aneta Leskourová, Michal H. Kolář
Publikováno v:
Journal of Computational Chemistry. 43:864-869
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37f6540b5961f752775c3f29f609fb64
https://doi.org/10.1002/jcc.26841
https://doi.org/10.1002/jcc.26841
Publikováno v:
Biophysical journal. 121(23)
Proteosynthesis on ribosomes is regulated at many levels. Conformational changes of the ribosome, possibly induced by external factors, may transfer over large distances and contribute to the regulation. The molecular principles of this long-distance
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::545e9fdcd1f3440ad61c3e2adb4a668b
https://pubmed.ncbi.nlm.nih.gov/36335428
https://pubmed.ncbi.nlm.nih.gov/36335428
Proteosynthesis on ribosomes is regulated at many levels. Conformational changes of the ribosome, possibly induced by external factors, may transfer over large distances and contribute to the regulation. The molecular principles of this long-distance
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fae7e2ea7ec0b85d768615b7c39faada
https://doi.org/10.1101/2022.04.20.488877
https://doi.org/10.1101/2022.04.20.488877
Autor:
Aneta, Leskourová, Michal H, Kolář
Publikováno v:
Journal of computational chemistryREFERENCES. 43(12)
Partial atomic charges belong to key concepts of computational chemistry. In some cases, however, they fail in describing the electrostatics of molecules. One such example is the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::5cef9c198cb3b0453f3f9d35cd0c417b
https://pubmed.ncbi.nlm.nih.gov/35298034
https://pubmed.ncbi.nlm.nih.gov/35298034
Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel
Publikováno v:
Nucleic Acids Research
The ribosome is a fundamental biomolecular complex that synthesizes proteins in cells. Nascent proteins emerge from the ribosome through a tunnel, where they may interact with the tunnel walls or small molecules such as antibiotics. These interaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1d64920a4bb1ee7e08194690ff404ca
https://hdl.handle.net/21.11116/0000-000A-CAF5-E21.11116/0000-000A-CAF6-D21.11116/0000-000A-CAF3-0
https://hdl.handle.net/21.11116/0000-000A-CAF5-E21.11116/0000-000A-CAF6-D21.11116/0000-000A-CAF3-0
Publikováno v:
High Performance Computing in Science and Engineering '20 ISBN: 9783030806019
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::22d6ad7b9a7627fdacb85984f8ea378a
https://doi.org/10.1007/978-3-030-80602-6_3
https://doi.org/10.1007/978-3-030-80602-6_3
Autor:
Michal H, Kolář, Oriana, Tabarrini
Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of information
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f53c181486da4ff6318dfb9b9bd3de0
http://arxiv.org/abs/1709.02231
http://arxiv.org/abs/1709.02231
Publikováno v:
Topics in current chemistry. 359
The nature of halogen bonding in 128 complexes was investigated using advanced quantum mechanical calculations. First, isolated halogen donors were studied and their σ-holes were described in terms of size and magnitude. Later, both partners in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ae23436459140eff8bf06ab89db4f60a
https://pubmed.ncbi.nlm.nih.gov/25791483
https://pubmed.ncbi.nlm.nih.gov/25791483