Dataset - NFDI4Chem Search Service

From raw data to kinetic parameters: an EnzymeML-based workflow for reproduci... Dataset

Master thesis in the form of a JupyterBook with the title: "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics" JupyterBook can be...

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NGS data related to Adam et al.: On the accuracy of the epigenetic copy machi... Dataset

Expression and purification of DNMT1 for biochemical work Full length murine DNMT1 (UniProtKB P13864) was overexpressed and purified as described (Adam, et al. 2020) using the...

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Scripts for "Assessing the validity of NMR relaxation rates obtained from coa... Dataset

Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two...

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Replication data of Dyballa group for: "Determination of Accessibility and Sp... Dataset

Solid-state NMR data of the journal article mentioned under related publications from the Dyballa group can be found here. Data from collaborating groups (A2, A4, B3, C4) can be...

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Pre-trained and fine-tuned ANI models for: Transfer learning for chemically a... Dataset

Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the...

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Data of B3 group for: "Determination of Accessibility and Spatial Distributio... Dataset

In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared catalysts and...

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Additional data related to Khella et al.: The T1150A cancer mutant of the pro... Dataset

This data collection contains additional data related to Khellaet al.: "The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36...

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QSDB - a graphical Quorum Sensing Database: VANTED add-on source code Dataset

The add-on had been designed for the VANTED framework and used to create QSDB Database's collection of clickable networks. Each network is laid out according to SBGN standards,...

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Data for: High-accuracy thermodynamic properties to the melting point from ab... Dataset

Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI:...

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Molecular simulation scripts for slit nanopores Dataset

GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration...

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Molecular simulation scripts for bulk solutions Dataset

GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script...

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