Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Lukas Krep"'
Autor:
Thomas Nevolianis, Nadja Wolter, Luise F. Kaven, Lukas Krep, Can Huang, Adel Mhamdi, Alexander Mitsos, Andrij Pich, Kai Leonhard
Publikováno v:
Industrial & Engineering Chemistry Research. 62:893-902
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad19cd430a82af3552a7ae000e358481
https://doi.org/10.1021/acs.iecr.2c03291
https://doi.org/10.1021/acs.iecr.2c03291
Publikováno v:
Journal of Chemical Information and Modeling. 62:890-902
The development of a reaction model is often a time-consuming process, especially if unknown reactions have to be found and quantified. To alleviate the reaction modeling process, automated procedures for reaction space exploration are highly desired
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a331e1f7310e151ba8b7e41dd91d27ae
https://doi.org/10.1021/acs.jcim.1c01197
https://doi.org/10.1021/acs.jcim.1c01197
Autor:
Lukas Krep, Felix Schmalz, Florian Solbach, Leonid Komissarov, Thomas Nevolianis, Wassja A. Kopp, Toon Verstraelen, Kai Leonhard
Publikováno v:
ChemPhysChem. 24
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::34c7bc4cbccba8a8347d2d8fba778958
https://doi.org/10.1002/cphc.202300136
https://doi.org/10.1002/cphc.202300136
Autor:
Lukas Krep, Felix Schmalz, Florian Solbach, Leonid Komissarov, Thomas Nevolianis, Wassja A. Kopp, Toon Verstraelen, Kai Leonhard
Publikováno v:
ChemPhysChem 24(7), e202200783 (2023). doi:10.1002/cphc.202200783 special issue: "Society Volumes: Belgium"
ChemPhysChem e202200783 (2023). doi:10.1002/cphc.202200783
Published by Wiley-VCH Verl., Weinheim
Published by Wiley-VCH Verl., Weinheim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::66ddb1dff42e92eac7426cdf481c2efa
https://publications.rwth-aachen.de/record/945080
https://publications.rwth-aachen.de/record/945080
Publikováno v:
CHEMPHYSCHEM
This work presents a novel parametrization for the ReaxFF formalism as a means to investigate reaction processes of chlorinated organic compounds. Force field parameters cover the chemical elements C, H, O, Cl and were obtained using a novel optimiza
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7fc5fc149ba9e9c523b26e4b98425eaf
https://pubmed.ncbi.nlm.nih.gov/36585384
https://pubmed.ncbi.nlm.nih.gov/36585384
Autor:
Lukas Krep, Florian Solbach, John C. Voss, Austen Bernardi, Roland Faller, Madhu S. Budamagunta, Kit S. Lam, Kai Leonhard, Shivani Bansal
Publikováno v:
Journal of biomolecular structuredynamics. 40(22)
The recently discovered, membrane-active peptide LBF14 contains several non-proteinogenic amino acids and is able to transform vesicles into tubule networks. The exact membrane interaction mechanism and detailed secondary structure are yet to be dete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::889708f389fcea4d9dc56bf4da3cf634
https://pubmed.ncbi.nlm.nih.gov/34424133
https://pubmed.ncbi.nlm.nih.gov/34424133
Publikováno v:
ChemSystemsChem. 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6fb581496d7f3c25c026b92719252bdb
https://doi.org/10.1002/syst.201900043
https://doi.org/10.1002/syst.201900043