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Cosolvent and Dynamic Effects in #BindingPocket Search by #Docking Simulations
https://t.co/5UHTgjl9gG
@juanjnogueira
#current_issue #compchem
It is always a pleasure to collaborate with people you admire their work and from whom you learned a lot while working with them @amjjbonvin. If the project involves the celebration of the 50th anniversary @rcsbPDB, then it is just brilliant. #science #sciart #compchem
Mapping #Ligand_Shape Space for #Protein_Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins
https://t.co/r9UgmAusaD
@F_Coppola93
#current_issue #compchem
Check out our new article, “Best Practices for Alchemical Free Energy Calculations”, and please spread the word. This provides an extensive set of recommendations for these calculations and we hope will be valuable to the community. #compchem
https://t.co/7uopl8i1CT
Are you interested in "Modelling site disorder in solids"? Ricardo Grau-Crespo @rgraucrespo from @UniRdg_Chem will be one of our speakers in the first #RedLatFQT Virtual Symposium!
Register now: https://t.co/4ic17Por2T
#compchem @theochemmerida @amclabs @UdeaQft @JessArcudia
#compchem is also a field entangled in an era of changing Academia, "entrepreneurship science" and Bay-Dole act, see @epopppp "Creating the Market Academy"... and also entangled with #BigPharma and computer manufacturers #fellowfriday #sts