Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Steve Kaminski"'
Autor:
Steve Kaminski, Olaf Brandt
Publikováno v:
o-bib. Das offene Bibliotheksjournal, Vol 5, Iss 3 (2018)
Das eScience-Center der Universität Tübingen bietet mit dem Forschungsdatenrepositorium FDAT lokalen Forschungsprojekten und Forschenden diverse Dienstleistungen sowie die nötige technische Ausstattung für die Langzeitarchivierung und Nachnutzung
Externí odkaz:
https://doaj.org/article/87c8b7c45f54482689b4a1b0860a1bcd
Publikováno v:
Linköping Electronic Conference Proceedings.
The Component Metadata Infrastructure (CMDI) is a discipline independent metadata framework, though it is currently mainly used within CLARIN and by initiatives in the humanities and social sciences. CMDI allows flexible modelling of metadata schemas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e3c7dcfc71b934ceb2fd49d4149e831
https://doi.org/10.3384/ecp1806
https://doi.org/10.3384/ecp1806
Autor:
Maria Andrea Mroginski, F. Velazquez Escobar, D. von Stetten, G. Daminelli-Widany, Peter Hildebrandt, Steve Kaminski, Norbert Michael
Publikováno v:
Journal of Molecular Structure. 993:15-25
Phytochromes constitute a family of red-light sensing photoreceptors in plants and microorganisms. The photoactive cofactor is an open-chain methine-bridged tetrapyrrole that, upon light absorption, undergoes a double bond isomerisation followed by s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5979f9186c629dc0cacb0d1b4d5b8903
https://doi.org/10.1016/j.molstruc.2011.02.038
https://doi.org/10.1016/j.molstruc.2011.02.038
Autor:
Simone Ringsdorf, Lars-Oliver Essen, Steve Kaminski, Wolfgang Gärtner, David von Stetten, Maria Andrea Mroginski, Peter Hildebrandt
Publikováno v:
The Journal of Physical Chemistry B. 115:1220-1231
A homology structural model was generated for plant phytochrome phyA utilizing the crystal structure of the sensory module of cyanobacterial phytochrome Cph1 (Cph1Δ2). As chromophores, either the native phytochromobilin cofactor (PΦB) or phycocyano
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c89042be53f8c8aed32c0fccc071f3b
https://doi.org/10.1021/jp108265h
https://doi.org/10.1021/jp108265h
Publikováno v:
ChemPhysChem. 11:1265-1274
The Raman spectrum of the phycoviolobilin cofactor of the alpha-subunit of phycoerythrocyanin was computed using a hybrid quantum mechanical/molecular mechanics (QM/MM) method in order to evaluate the performance of the QM/MM approach for calculating
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d012b7265770e31a53b88a87a643576c
https://doi.org/10.1002/cphc.200900895
https://doi.org/10.1002/cphc.200900895
Autor:
Prasad Phatak, David von Stetten, Maria Andrea Mroginski, Michael Gaus, Steve Kaminski, Marcus Elstner
Publikováno v:
Journal of Chemical Theory and Computation. 6:1240-1255
The Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) method has been extended for the calculation of vibrational Raman spectra employing the Fourier Transform of Time-Correlation ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0b1d11ca29a79c81b61c7eb7f260439
https://doi.org/10.1021/ct900660x
https://doi.org/10.1021/ct900660x
Autor:
Patrick Scheerer, Johannes Salewski, Francisco Velazquez Escobar, Wolfgang Gärtner, Steve Kaminski, Norbert Michael, David von Stetten, Tilman Lamparter, Franz Bartl, Anke Keidel, Yvonne Rippers, Nicole Frankenberg-Dinkel, Peter Hildebrandt, Simone Ringsdorf, Maria Andrea Mroginski, Patrick Piwowarski
Phytochromes act as photoswitches between the red- and far-red absorbing parent states of phytochromes (Pr and Pfr). Plant phytochromes display an additional thermal conversion route from the physiologically active Pfr to Pr. The same reaction patter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::905a47cb9fbdb24070941f9d5ec7b79b
https://europepmc.org/articles/PMC3675613/
https://europepmc.org/articles/PMC3675613/
Publikováno v:
The journal of physical chemistry. A. 116(48)
The present work outlines the implementation and performance of two cost efficient post-SCF extensions into the third-order SCC-DFTB code. The first one, the charge model 3 (CM3), corrects for errors in bond dipoles for an improved description of mol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e058e352b37f4ddf30a017dae2c2b104
https://pubmed.ncbi.nlm.nih.gov/23167841
https://pubmed.ncbi.nlm.nih.gov/23167841
Publikováno v:
The journal of physical chemistry. A. 116(36)
In this work, we augment the approximate density functional method SCC-DFTB (DFTB3) with the chemical-potential equalization (CPE) approach in order to improve the performance for molecular electronic polarizabilities. The CPE method, originally impl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19e86b6b3a6f4f26f178130cba5e4ae6
https://pubmed.ncbi.nlm.nih.gov/22894819
https://pubmed.ncbi.nlm.nih.gov/22894819
Autor:
Holger M. Strauss, Patrick Scheerer, Jo Mailliet, Mina Günther, Peter Hildebrandt, Francisco Velazquez Escobar, Lars-Oliver Essen, Steve Kaminski, Maria Andrea Mroginski, Wolfgang Gärtner, Christian Bongards, David von Stetten, Jon Hughes, Daniel H. Murgida, Peter Schmieder
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Biophysical journal, 96(10): 4153–4163
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Biophysical journal, 96(10): 4153–4163
A quantum mechanics (QM)/molecular mechanics (MM) hybrid method was applied to the Pr state of the cyanobacterial phytochrome Cph1 to calculate the Raman spectra of the bound PCB cofactor. Two QM/MM models were derived from the atomic coordinates of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6c249ecda8a2a4e673bda7e40ba8db8
https://www.sciencedirect.com/science/article/pii/S0006349509005876
https://www.sciencedirect.com/science/article/pii/S0006349509005876