Matina Zavitsanou

Machine learning expert, Syngenta.
DPhil in computational organic chemistry, Oxford University.
Machine learning expert, Future climate team, IBM.

[Matina Zavitsanou @MatinaZav]

Greece 2024-2025, smoking indoors is absolutely ok... Είμαστε Ευρώπη ... #brainregain not @AdonisGeorgiadi @kmitsotakis @Pierrakakis

[Matina Zavitsanou @MatinaZav]

@HarryWTMorgan1 Pro tip get a d-dimer blood test in about a month.

[Matina Zavitsanou @MatinaZav]

Our work is on ChemRxiv!! Check out our pre-print on "Chemical space analysis and property prediction for carbon capture amine molecules". Work done with @IBMResearch. Proud to be co-authors with @FlaviuCipcigan, @JamesMc46985195 and many others. https://t.co/6BNf5A0B22

[Matina Zavitsanou @MatinaZav]

When random groups are discussing your paper in their group meetings, and your friend is there to report it. Proud happy moments!!
FEPrepare: A web-based tool for automating the setup of relative binding free energy calculations.
https://t.co/FmKLiF1ITs
#compchem #jcim

[Matina Zavitsanou @MatinaZav]

Super excited for this work! A big thank you to all co-authors!

[Zoe Cournia @zoecournia]

Our FEPrepare paper is out and open access in @JCIM_ACS! https://t.co/oFgXF2fKyF FEPrepare is a web-server that automates setting up relative binding free energy calculations for the dual-topology scheme of NAMD with OPLS-AA. Use it here: https://t.co/3l6h6eEYfY #compchem

[Matina Zavitsanou @MatinaZav]

Very excited to have joined #IBM as part of the future of climate team! Looking forward to learning new science!

[Matina Zavitsanou @MatinaZav]

@TYoungResearch @c_lavigne @gabepgomes A bit too familiar

[Matina Zavitsanou @MatinaZav]

Happy to have worked on this with @fjduarteg, @ASterlingChem, and Joe!!

[Fernanda Duarte @fjduarteg]

Happy to share our #review on predictive models in organocatalysis. From back‐of‐the‐envelope sketches to ML models #compchem. Congratulations @ASterlingChem @MatinaZav and Joe! I really enjoyed the discussions that led to this work. @duarte_group https://t.co/mbtUjxrbqP

[Matina Zavitsanou @MatinaZav]

Great work everyone!!!

[Duarte Group @duarte_group]

Congratulations to @tanya_rogova and coauthors (including our own @MatinaZav) for their work on reverse-polarity reductive functionalisation of tertiary amides, now published in @ACSCatalysis! #compchem

You can read about it here: https://t.co/IIfytkvxNp

[Matina Zavitsanou @MatinaZav]

Thank you @OxWiChem !!!

[Oxford Women in Chemistry @OxWiChem]

Meet committee member @MatinaZav a DPhil in @duartegroup! Originally from Greece she trained as a computer scientist and inspired by @zoecournia she came to Oxford to apply her skills to a completely new field! Is there anything she can’t do?! #OxWiChemProfiles #WomenInSTEM

[Matina Zavitsanou @MatinaZav]

Very happy for this work!! Congratulations to @tanya_rogova and a big thank you to @dixon_group and @duarte_group

[Dixon Group @dixon_group]

Very happy to announce that Tanya's (@tanya_rogova) work on combining two of our research areas – amide hydrosilylation and reductive photocatalysis – is now online at @ChemRxiv, feat @pabs_gabs @MatinaZav @JamieLeitch165 & in collaboration with @fjduarteg https://t.co/Y10zowqqwq

[Oxford Women in Chemistry @OxWiChem]

We couldn’t have started without our faculty champion @fjduarteg who has supported us from the start! Her career has taken her across the world from Chile to Sweden to @Edinburghchem and now @Oxfordchemistry with @duarte_group, read about her in our latest #OxWiChemProfiles

[Matina Zavitsanou @MatinaZav]

Thank you #AIReact2020 for a great conference!

[AISciNet @AISciNet]

And finally, our #AIReact2020 1st Prize Poster winner...is 5 - Catalyst Design via Machine Learning presented by @MatinaZav from @duarte_group @UniofOxford! @DialaMolecule @DirAssembly @IktosAI

[Fernanda Duarte @fjduarteg]

We are looking for an outstanding candidate to join us through the Computational Discovery programme (Project 6: ML in Chemistry) led by @UniofOxford and @IBMResearch. Further details: https://t.co/rSAfOQh4EJ Deadline 24/01/2020. @duarte_group @OxfordChemistry @OxfordGradStudy

[Matina Zavitsanou @MatinaZav]

@duarte_group Many thanks to #YMF2019 organisers
Great talks and posters.

[JCIM & JCTC Journals @JCIM_JCTC]

Computing Relative Binding Affinity of #Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in #NAMD
https://t.co/kXxk6CfgEy
#ASAP

[JCIM & JCTC Journals @JCIM_JCTC]

Converting #SMILES to Stacking Interaction #Energies
https://t.co/AdLmT8MfSS
@litlstitchwitch @WheelerCompChem
#ASAP

[Matina Zavitsanou @MatinaZav]

Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural network https://t.co/9HOGYUdgsE