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821 a 830 de 927 Resultados
Desconocido - 56,3 MB - MD5: 815e0176d2f3f2b9062683ef14239725
DataDatos
Non-binary file containing the vector values and dimensions for each token
26 ene 2022
Amo-Ochoa, Pilar; Maldonado, Noela; Latorre, Ana; Zamora, Félix; Somoza, Álvaro; Gómez-García, Carlos J.; Bastida, Agatha, 2022, "A nanostructured Cu(II) coordination polymer based on alanine as a tri-functional mimic enzyme and efficient composite in the detection of Sphingobacteria", https://doi.org/10.21950/NR3KKL, e-cienciaDatos, V1
This research raises the potential use of coordination polymers as new useful materials in two essential research fields, allowing the obtaining of a new multi artificial enzyme with the capacity to inhibit the growth of bacteria resistance. The fine selection of the ligands allo...
9 dic 2021
Carracedo-Cosme, Jaime; Romero-Muñíz, Carlos; Pou, Pablo; Pérez, Rubén, 2021, "QUAM-AFM", https://doi.org/10.21950/UTGMZ7, e-cienciaDatos, V1
QUAM–AFM is the largest dataset of simulated Atomic Force Microscopy (AFM) images generated from a selection of 685,513 molecules that span the most relevant bonding structures and chemical species in organic chemistry. QUAM-AFM contains, for each molecule, 24 3D image stacks, ea...
9 dic 2021 - QUAM-AFM
Archivo ZIP - 144,0 MB - MD5: 547df5e75c2021d840d2acb0b73ac719
Set of dictionaries created with the pickle package (Python 3.7) linking each molecule with the IUPAC name and the chemical formula by the CID number in PubChem (https://pubchem.ncbi.nlm.nih.gov/)
9 dic 2021 - QUAM-AFM
Archivo ZIP - 145,2 KB - MD5: 34bfbae7b0e0aab962d4b5de3167778c
Folder with the Python QUAM.py script that allows visualization and search of the AFM simulations using a Graphical User Interface (GUI)
9 dic 2021 - QUAM-AFM
Archivo ZIP - 274,1 GB - MD5: aee5679ab8e29b2da58bdc11affcd5e9
DataDatos
Set of folders (each compressed in .tar.gz format) containing the AFM simulations split according to the simulation parameters (K-1,...,K-24), the ball and stick representations (JMOL_IMAGES), the atomic coordinates (XYZ_FILES), and the height maps (HM). IMPORTANT NOTE!. If main...
9 dic 2021 - QUAM-AFM
Texto plano - 19,3 KB - MD5: eac7ee983c9bc62a72c4babe83f52881
DocumentaciónDocumentation
9 dic 2021
Carracedo-Cosme, Jaime; Romero-Muñíz, Carlos; Pou, Pablo; Pérez, Rubén, 2021, "QUAM-AFM Lite", https://doi.org/10.21950/BFAU11, e-cienciaDatos, V1
QUAM–AFM Lite is the scaled-down version of QUAM-AFM, the largest dataset of simulated Atomic Force Microscopy (AFM) images. This reduced version was generated from a selection of 1,755 molecules that span the most relevant bonding structures and chemical species in organic chemi...
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