Top Tweets for #JCAMD

almost 2 years ago

Our paper discussing an automated workflow for running and analyzing MD simulations is now published in #JCAMD: https://t.co/GIKzHfux5D. We are continuing to add more features such as expanding MD engines, FFs & ML analysis of trajectories. Feedback most welcome! #MDFit

Monica L. Fernández-Quintero @moonii1020

over 4 years ago

Did you ever want to compute the #solvation free energy of salt-water mixtures with #GIST? Here is your chance, directly out of https://t.co/xo6MTXfIki @FranzWaibl @JohannesKraml @Joe_r_loeffler @KlausLiedl #compchem #JCAMD https://t.co/QV6raG0zCl

Johannes R. Loeffler @Joe_r_loeffler

over 4 years ago

Check out the latest paper fresh from ⁦@FranzWaibl in #JCAMD⁩ ! Introducing salt in #solvation free energies from #GIST substantially extending the applicability! #compchem #hydration ⁦@KlausLiedl⁩ ⁦@moonii1020⁩ ⁦@JohannesKraml⁩ https://t.co/ywo8rvbPf2

Peter Kenny 🇹🇹🇬🇧🇧🇷🇺🇦🌻🇪🇺🇲🇦🇬🇱 @pwk2013

over 9 years ago

The influence of #hydrogen #bonding on #partition #coefficients #logP #CompChem #PhysChem #cheminformatics #JCAMD https://t.co/1R1Yj3pvXD

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