Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Ondřej Kroutil"'
Autor:
Prashant Khirsariya, Patrik Pospíšil, Lukáš Maier, Miroslav Boudný, Martin Babáš, Ondřej Kroutil, Marek Mráz, Robert Vácha, Kamil Paruch
Publikováno v:
Journal of Medicinal Chemistry. 65:5701-5723
Histone methyltransferase DOT1L is an attractive therapeutic target for the treatment of hematological malignancies. Here, we report the design, synthesis, and profiling of new DOT1L inhibitors based on nonroutine carbocyclic C-nucleoside scaffolds.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2152f907f5d5926092df7f38da36721b
https://doi.org/10.1021/acs.jmedchem.1c02228
https://doi.org/10.1021/acs.jmedchem.1c02228
Publikováno v:
Electroanalysis. 31:2032-2040
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6af7befbb80b1f174d7aa71a2da0bcb5
https://doi.org/10.1002/elan.201900314
https://doi.org/10.1002/elan.201900314
Autor:
Milan Předota, Moira K. Ridley, Ondřej Kroutil, Denys Biriukov, Michael L. Machesky, Martin Kabeláč
Publikováno v:
Langmuir. 35:7617-7630
Detailed analysis of the adsorption of oxalic acid ions, that is, oxalate and hydrogenoxalate, on the rutile (110) surface was carried out using molecular dynamics augmented by free energy calculations and supported by ab initio calculations. The pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86fe6f7504c5fe87f9cb0417993f1174
https://doi.org/10.1021/acs.langmuir.8b03984
https://doi.org/10.1021/acs.langmuir.8b03984
Autor:
Milan Předota, Ondřej Kroutil, Denys Biriukov, Simone Pezzoti, Arianna Marchioro, Marie Bischoff, Marie-Pierre Gaigeot, Silvie Roke
Publikováno v:
Goldschmidt Abstracts.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a091c86d9c78e305060d0ba77f602376
https://doi.org/10.46427/gold2020.2120
https://doi.org/10.46427/gold2020.2120
Publikováno v:
Microporous and Mesoporous Materials. 328:111406
Classical molecular dynamics (CMD) simulations were used to describe clinoptilolite/electrolyte interface with an atomistic resolution. The most abundant (010) surface cut was chosen together with two forms of clinoptilolite (CL) skeleton: neutral si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::beb5f4df3eac0eaaa9a866933625265e
https://doi.org/10.1016/j.micromeso.2021.111406
https://doi.org/10.1016/j.micromeso.2021.111406
Publikováno v:
Electroanalysis. 31
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::999e73ccd2182df84f5352b258528abd
https://doi.org/10.1002/elan.201981002
https://doi.org/10.1002/elan.201981002
Publikováno v:
Langmuir : the ACS journal of surfaces and colloids. 35(24)
Here, we characterize oxalate adsorption by rutile in NaCl media (0.03 and 0.30 m) and between pH 3 and 10 over a wide temperature range which includes the near hydrothermal regime (10-150 °C). Oxalate adsorption increases with decreasing pH (as is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8daba6523f6f97bd9abaa990238d9a11
https://pubmed.ncbi.nlm.nih.gov/30852900
https://pubmed.ncbi.nlm.nih.gov/30852900
Publikováno v:
The Analyst. 141:4554-4557
The transfer of protons or proton donor/acceptor abilities is an important phenomenon in many biomolecular systems. One example is the recently proposed peptidic proton-wires (H-wires), but the ability of these His-containing peptides to transfer pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8cf7dcd1fdb322ec24e71e548e82bbc
https://doi.org/10.1039/c6an00869k
https://doi.org/10.1039/c6an00869k
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(37)
Electronic continuum correction (ECC) has been proven to bring significant improvement in the modeling of interactions of ions (especially multivalent) in aqueous solutions. We present a generalization and the first application of this approach to mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de658e97d7bc24673cb9f95381940d37
https://pubmed.ncbi.nlm.nih.gov/30209469
https://pubmed.ncbi.nlm.nih.gov/30209469
Autor:
Ondřej Kroutil, Lucie Bednárová, Jan Vacek, Martin Kabeláč, Vlastimil Dorčák, Vaclav Veverka, David Novak
Publikováno v:
Langmuir : the ACS journal of surfaces and colloids. 34(24)
Molecular wires are functional molecules applicable in the field of transfer processes in technological and biochemical applications. Besides molecular wires with the ability to transfer electrons, research is currently focused on molecular wires wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f01f6feb1b1f828fbc666f17804afcd3
https://pubmed.ncbi.nlm.nih.gov/29763545
https://pubmed.ncbi.nlm.nih.gov/29763545