Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Nikolaj Otte"'
Autor:
Florian A. Jaeger, Peter Saling, Nikolaj Otte, Rebecca Steidle, Jan Bollen, Birte Golembiewski, Ivana Dencic, Ulla Letinois, Torsten Rehl, Johannes Wunderlich
Publikováno v:
E3S Web of Conferences. 349:07005
The reduction in greenhouse gas (GHG) emissions is of high importance to society. Companies therefore have an increasing interest in understanding and reducing the GHG emissions of their supply chains and to generate data to track and prove this, for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dbde335386ff4e16584f9f0b866b997a
https://doi.org/10.1051/e3sconf/202234907005
https://doi.org/10.1051/e3sconf/202234907005
Publikováno v:
The International Journal of Life Cycle Assessment. 22:986-1004
The aim of this article is to present a new model and tool to calculate life cycle inventories (LCIs) of chemicals discharged down the drain. Exchanges with the technosphere and the environment are attributed for based on the predicted behaviour of i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4bb413a848bae2c71795bb71f5173864
https://doi.org/10.1007/s11367-016-1189-3
https://doi.org/10.1007/s11367-016-1189-3
Publikováno v:
Journal of chemical theory and computation. 2(2)
We used the free-energy perturbation (FEP) method in quantum mechanics/molecular mechanics (QM/MM) calculations to compute the free-energy profile of the hydroxylation reaction in the enzyme p-hydroxybenzoate hydroxylase (PHBH). k statistics were emp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d75b4e43f48287215b80ca00a78f33ba
https://pubmed.ncbi.nlm.nih.gov/26626532
https://pubmed.ncbi.nlm.nih.gov/26626532
Publikováno v:
Macromolecules. 43:9674-9681
A scale-bridging study of first-principles calculations and kinetic modeling has been carried out to investigate anionic and zwitterionic chain polymerizations. On the example of the industrially r...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f24935945917b59eb892628bb4d9104
https://doi.org/10.1021/ma1017583
https://doi.org/10.1021/ma1017583
Autor:
Marco Bocola, Karl-Erich Jaeger, Walter Thiel, Thorsten Eggert, Nikolaj Otte, Andreas Vogel, José Daniel Carballeira, Michael Puls, Manfred T. Reetz
Publikováno v:
ChemBioChem. 8:106-112
An earlier experimental study, which involved the directed evolution of enantioselective lipase variants from Pseudomonas aeruginosa as catalysts in the hydrolytic kinetic resolution of 2-methyl-decanoic acid p-nitrophenyl ester, provided a mutant wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0547e5cb841060e0b098621819e9f1e4
https://doi.org/10.1002/cbic.200600359
https://doi.org/10.1002/cbic.200600359
Autor:
Marco Bocola, Nikolaj Otte, Thorsten Eggert, Susanne Aileen Funke, Walter Thiel, Karl-Erich Jaeger
Publikováno v:
Protein Engineering, Design and Selection. 18:509-514
Chiral compounds can be produced efficiently by using biocatalysts. However, wild-type enzymes often do not meet the requirements of a production process, making optimization by rational design or directed evolution necessary. Here, we studied the li
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13b5983090c00a6cebbbbc8e1a641ab6
https://doi.org/10.1093/protein/gzi062
https://doi.org/10.1093/protein/gzi062
Autor:
BW Dijkstra, Karl-Erich Jaeger, Walter Thiel, Bauke W. Dijkstra, KE Jaeger, Andreas Eipper, T Eggert, Nikolaj Otte, Susanne Aileen Funke, G. Van Pouderoyen, Manfred T. Reetz, SA Funke, MT Reetz
Publikováno v:
Biocatalysis and Biotransformation, 21(2), 67-73
Chiral compounds are of steadily increasing importance to the chemical industry, in particular for the production of pharmaceuticals. Where do these compounds come from? Apart from natural resources, two synthetic strategies are available: asymmetric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13906534991d0e2e3a5f1ca4d5e26cb5
https://doi.org/10.1080/1024242031000110847
https://doi.org/10.1080/1024242031000110847
Publikováno v:
The journal of physical chemistry. A. 111(26)
The self-consistent-charge density functional tight binding (SCC-DFTB) method is compared with other semiempirical methods (MNDO, AM1, PM3, OM1, OM2, OM3). Despite the differences in the underlying philosophy and derivation, these methods share many
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e839974cff292dd9e362ade678dc47b
https://pubmed.ncbi.nlm.nih.gov/17385847
https://pubmed.ncbi.nlm.nih.gov/17385847
Autor:
Revanur Ravindra, Björn Ludolph, Chiara Nicolini, Roger Rousseau, Dominik Marx, Roland Winter, Nikolaj Otte, Axel Kohlmeyer, Eduard Schreiner
Publikováno v:
Scopus-Elsevier
The temperature-dependent behavior of a solvated oligopeptide, GVG(VPGVG), is investigated. Spectroscopic measurements, thermodynamic measurements, and molecular dynamics simulations find that this elastinlike octapeptide behaves as a two-state syste
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33d0ca264ca9f2ce2e620e515d4ac482
https://doi.org/10.1103/physrevlett.92.148101
https://doi.org/10.1103/physrevlett.92.148101
Publikováno v:
Chembiochem : a European journal of chemical biology. 5(2)
Molecular modeling with classical force-fields has been used to study the reactant complex and the tetrahedral intermediate in lipase-catalyzed ester hydrolysis in 20 enzyme/substrate combinations. The R and S enantiomers of alpha-methyldecanoic acid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec3110a7fa4a89e8c488ce630bd13bd1
https://pubmed.ncbi.nlm.nih.gov/14760743
https://pubmed.ncbi.nlm.nih.gov/14760743