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New paper out! atomium—a Python structure parser academic.oup.com/bioinformatics… atomium is, as the title suggests, a Python library for parsing .pdb, .cif, and .mmtf files - as well as manipulating them, saving them, generating biological assemblies, etc.

When the prestige journal transfers your manuscript to a more specialized journal within the same publishing group.

Hemolithin: A Meteoritic Protein containing Iron and Lithium. Not sure what is most surprising: determination of 3D structure using MALDI-MS, the specific Li/Fe coordination, the alpha-OH Gly or the claim of an extra-terrestial protein h/t Michael Maglegaard Jepsen arxiv.org/abs/2002.11688

Pleased to say that last January I completed my master’s degree in chemistry! Even more excited to announce that I started as a PhD-student in the Roelfes Group (find us as @roelfesgroup on BS) last week! I will be working on the design of artificial enzymes and am excited to see what the future holds!

That is useful!

🏅🏅🏅Resolución de la II Convocatoria “Premio a los mejores artículos en el área de Química y Computación” otorgados por nuestro Grupo. Enhorabuena a los premiados y muchísimas gracias a todos por participar! 🥳 bit.ly/3hUGe5d

A metaphor for life

Commercial biorefinery for extracting metals from e-waste theguardian.com/environment/20…

"Integrated Computational Study of the Cu-Catalyzed Hydration of Alkenes in Water Solvent and into the Context of an Artificial Metallohydratase" pubs.acs.org/doi/full/10.10… has been included in a new ACS Catalysis Virtual Issue! axial.acs.org/2020/08/13/blu… Congrats Lur Alonso Cotchico!

#BioMetAll: Identifying Metal-Binding Sites in Proteins from #Backbone Preorganization pubs.acs.org/doi/10.1021/ac… José-Emilio Sánchez-Aparicio Jean-Didier Maréchal #Issue_1 #vol_61 #Computational_Biochemistry

by Fadri Christoffel @Blue_Chemistry, Nico V. Igareta, Michela M. Pellizzoni Michela Pellizzoni, Laura Tiessler-Sala, Boris Lozhkin, Daniel C. Spiess, Agustí Lledós, Jean-Didier Maréchal Jean-Didier Maréchal Universitat Autònoma de Barcelona, Ryan L. Peterson Texas State University, and Thomas R. Ward Ward Group University of Basel

Congratulations to Reuben Leveson-Gower Reuben B. Leveson-Gower who won a prize for the best talk at #NCCC2022 on Artificial Enzyme Iminium Catalysis @StratinghInst

Young Researchers Symposium #YRS22 Girona Seminar 2024 iqcc.udg.edu/wordpress/2022…

A computational study from Tiessler, Maréchal, and coworkers sheds light on heme recruitment by hemophores and unveils the origin of their mechanistic diversity. Please have a look to learn more: pubs.acs.org/doi/10.1021/ac…

Having Pr Fernandes to talk about Venom and enzymes!

📢Resolución I Convocatoria de Ayudas para la Organización de Eventos Científicos, resuelta a favor de la escuela «Cheminformatics, automation, and machine learning in chemistry: from fundamental concepts to emerging techniques» geqc.rseq.org/resolucion-i-c…