Took us over a year to tackle what we initially thought would be a fairly easy system. Check out our work on the SAMPL9 challenge for binding free energy predictions where we sample multiple binding poses, chiralities, N-point inversions, and some frustrated torsions. #compchem

@mayartarek7 @Momademia Many congrats again, Dr. Mayar!

RT @iamsrk: It’s so lovely to live in front of the sea…..the sea of love that spreads all around me on my birthday….thank u. Grateful for m…

@MTA Also MTA app suggests the route and timings of buses, which suddenly changes from 5 mins wait to 20 mins subject to the frequency. Please look into it! Thank you.

Also yes, I am going to work on the spreadsheet shortly 👀 @GallicchioEmi

@Shehata92 @SolmazAzimi

RT @Shehata92: My PhD story so far😅 #compchem

@siddharthkalra 🤣 Lagta hai kaafi bhara baitha hai mera dost

@nahvijunaid @_zoyamir When they say a picture is worth a thousand words, I was looking at it less than 10 days back.. how happy would have he been at that time to throw in colors like that..

RT @AsYouNotWish: Dear Punjabi singers, Stop encouraging gun violence and gang wars through your songs and if possible, fix your industry’…

RT @FOellien: #gcc2022gap Their code is on Github

@WendyAnneWarr @GallicchioEmi Thank you Wendy!

RT @FOellien: #gcc2022gap Happy Birthday GDCh CIC @GDCh_aktuell @GDCh_CIC #40thanniversary #anniversary German Chemical Society Computer in…

RT @JCIM_ACS: Relative Binding #FreeEnergy Calculations for Ligands with Diverse Scaffolds with the #Alchemical Transfer Method #RBFE #mole…

@Gaurav6032 Thank you @Gaurav6032 for your amazing support always! 🙏

A great effort by the EG Lab to build a streamlined approach for the calculation of Relative Binding Free Energies. Available on our lab’s GitHub for you to try out! @emiliaogallo @joezwu @SolmazAzimi

@emiliaogallo This tweet is going to be addressed in the group discussion tomorrow 🤔🤨