Lorenzo D'Amore @_LDAmore
Entertaining with big computers @HPC_Now 💻 Computational Chemist, PhD @IQCCUdG ⚛️ Papa Bear 🐻 researchgate.net/profile/lorenz… Girona, Catalunya. Joined January 2021-
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Happy to share that starting this week, I have embarked on a new adventure as Computational Scientist at @HPC_Now 💻 I am beyond excited to begin this new chapter joining their awesome and talented team 🚀
Great to be in Boston at the first @openmsf meeting and finally see all the @openforcefield folks in flesh!
Lorenzo D'Amore retweeted
Our OpenFF 2.0 ("Sage") paper is out now at JCIM! pubs.acs.org/doi/10.1021/ac… #compchem
Honoured to chair the first session of the IQCC30th Anniversary with Dr. Jordi Mestres @jor501mes3 Dr. Ester Masllorens and Dr. Joan Serrano @JoanSP
Honoured to chair the first session of the IQCC30th Anniversary with Dr. Jordi Mestres @jor501mes3 Dr. Ester Masllorens and Dr. Joan Serrano @JoanSP
Lorenzo D'Amore retweeted
Our industry-led force field benchmarking paper (relative to QM) is out in JCIM!
Our industry-led force field benchmarking paper (relative to QM) is out in JCIM!
Happy to see my first paper with @openforcefield picked as ACS editors' choice 🚀🚀🚀 Check out our collaborative benchmark of force fields (#OpenFF, #OPLS #GAFF) against QM using open and proprietary datasets provided by industry partners dx.doi.org/10.1021/acs.jc…
Ligand-induced change in NMR to guide directed evolution of myoglobin to Kemp-eliminase
Ligand-induced change in NMR to guide directed evolution of myoglobin to Kemp-eliminase
I enjoyed writing this #OpenFF post about our academic and industrial effort to assess FFs performance! 10 different pharma partners involved, a combined dataset of ~20K drug-like molecules from active research projects or compound collection. Check the results of our benchmark!
I enjoyed writing this #OpenFF post about our academic and industrial effort to assess FFs performance! 10 different pharma partners involved, a combined dataset of ~20K drug-like molecules from active research projects or compound collection. Check the results of our benchmark!
You can defend your thesis, but you’re not yet a full Chem PhD without your official @IQCCUdG mug. Thanks folks! 👨🏻🎓❣️🙏🏼 Will aid to stay focused ☕️
Lorenzo D'Amore retweeted
Modulation of a mu-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions, by @_LDAmore, @marcel_swart and the Franc Meyer group (@ECOSTBio paper), in @J_A_C_S iqcc.udg.edu/wordpress/2021…
Lorenzo D'Amore retweeted
We’ve got a new preprint out on work that led into how we refit LJ parameters for our OpenFF 2.0 Sage release. #compchem
Lorenzo D'Amore retweeted
I am searching for a motivated PhD student to work on Computational NMR Spectroscopy of heavy transition-metal complexes. The PhD will be hosted at @hylleraas Centre of the University of Oslo. Please RT! Deadline 28 Nov See more and how to apply: jobbnorge.no/en/available-j…
Lorenzo D'Amore retweeted
Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions pubs.acs.org/doi/10.1021/ja…
Thrilled to see it finally out on @J_A_C_S 🚀🚀🚀 Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions. pubs.acs.org/doi/10.1021/ja… @marcel_swart @IQCCUdG
Lorenzo D'Amore retweeted
New #compchem tutorial: charge displacement analysis based on work by @marcel_swart @belp44119997 @_LDAmore scm.com/doc/Tutorials/…
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