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BioSIM

@BioSimulations

Biomolecular SIMulations Research Group

 Oporto, Portugal
biosim.pt
Joined June 2018
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Also, check out the second cover by the Nuno Cerqueira lab @BioSimulations: chemistry-europe.onlinelibra…
Image from ChemBioChem (@ChemBioChem)
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Quantum chemical computations from @BioSimulations #UnivFernandoPessoa reveal how a key enzyme intervenes in chlorophyll biosynthesis @ACSPublications A small step towards a greener future @Pedro_Biochem @BioSimulations @UCIBIO_Research @UPorto More: bit.ly/37k2Fkx
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Congratulations to Jorge Cunha for his MSc thesis in Biophysics and Bionanosystems developed at the @BioSimulations Lab at @UCIBIO_Research - @UPorto, under the supervision of Sérgio Sousa, leader of the lab, and Elisabete Coutinho @UMinho_Oficial
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I am thrilled to share with you that my work was cover of the ChemBioChem journal. Check it out here doi.org/10.1002/cbic.2022000… #compchem @BioSimulations
ChemBioChem (@ChemBioChem) profile pictureChemBioChem@ChemBioChem4 Feb 2022
#OnTheCover: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys-His-Glu Triad: A Computational Study (Cerqueira) @andrefpina onlinelibrary.wiley.com/doi/…
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From BioSIM Research Group, Tatiana Vieira presents "Development of Inverted Virtual Screening Approaches for the Identification of Protein Targets Associated to the Biological Activity of Specific Molecules". #EJIBCE21
Image from 3D-Bioinfo-PT (@3dBioinfoPT)
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#SpecialIssue The Application of Quantum Mechanics in Reactivity of Molecules II mdpi.com/journal/applsci/spe… Submission Deadline: 31 December 2021 Guest Editor: Dr. @SergioFSousa #densityfunctionaltheory #abinitio #semiempiricalmethods #quantumdynamics #mdpiapplsci #openaccess
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Congratulations to Sara Pereira for her MSc thesis in #InformaticsEngineering, developed at the @BioSimulations Lab at @UCIBIO_Research @UPorto, under the supervision of Sérgio Sousa. and Alberto Proença and André Pereira from @CentroAlgoritmi @Univminho_
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Congratulations to Henrique Fernandes for his PhD thesis in #Chemistry: “Computational studies addressed to PLP-Dependent enzymes”, developed at the @BioSimulations Lab at @UCIBIO_Research @FMUPorto @UPorto, under the supervision of Nuno Cerqueira and Sérgio Sousa. @ciencias_fcup
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It was great to present my work at Hünfeld 2021: Workshop on Computer Simulation and Theory of Macromolecules. Great conversations! Excited for the rest of the presentations. #CompBioPhys_Hunfeld @CompBioPhys
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Happy to share our recent publication on the development of a web-based AR platform for molecular visualization. The platform is available at ar.biosim.pt for free. #AugmentedReality @ARjs_Library @BioSimulations @UCIBIO_Research @FMUPorto doi.org/10.1021/acs.jchemed.…
Image from Henrique Fernandes (@Henrique_S_Fer)
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#molUP 1.6.8 released. biosim.pt/molup/ #QMMM @gaussian #VMD
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molUP 1.6.7 released. The update includes bugs fix. biosim.pt/molup/ #molUP #QMMM #Gaussian #VMD
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Today, Dr. @SergioFSousa from @FMUPorto talks about "Computational Chemistry in Drug Research" in our Drug Research Webinar series!
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Na penúltima apresentação selecionada do dia, temos a Carla Teixeira com um trabalho com o título:”Unraveling the chemistry beyond the catalytic activity of ω-amidase”
Image from 3D-Bioinfo-PT (@3dBioinfoPT)
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Happy to share some results at @ejibce
Image from Henrique Fernandes (@Henrique_S_Fer)
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Great talks and lots of fun @cecamEvents workshop : Beyond Point Charges: Novel Electrostatic Developments in Force Fields #compchem
Image from Jean-Philip Piquemal (@jppiquem)
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Interesting discussions happening right now at the Poster Session 2 on the second day of #EWGTarget
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Image from EMBL Events (@EMBLEvents)
Image from EMBL Events (@EMBLEvents)
Image from EMBL Events (@EMBLEvents)
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Join me at the #XXVEncontro (today at 3 p.m.) @Colquiga @spquimica @BioSimulations #qmmm #chemistry #molup #vmd #gaussian
Image from Henrique Fernandes (@Henrique_S_Fer)
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Thats a wrap! Thank you to all our participants, trainers and organisers who joined us for the @BioExcelCoE - @PRACE_RI 'Hands-on Intro to #HPC' course in association with @ARCHER_HPC. Until next time!
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New Publication on the ​Journal of Chemical Information and Modeling biosim.pt/2019/10/28/new-pub…
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