The Molecular Model @ModelMolecular
A graduate student who trying to catch up with the most interesting research in #compchem and #biochem, both past & present. themolecularmodel.com Joined August 2020-
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Following80
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I’m here today because of the women who came before me.
The computational equivalent of insertion and deletion mutations for enzyme design. Read More - themolecularmodel.com/home/baker2009 Full paper - pnas.org/content/106/23…
Dear @DeepMind , I have a simple request. Hoping for a favourable response. Thanks in advance, @ModelMolecular themolecularmodel.com/home/towards-t…
A great summary and outlook by @MoAlQuraishi on AlphaFold2 @ CASP14: “It feels like one’s child has left home.” – Some Thoughts on a Mysterious Universe moalquraishi.wordpress.com/2020/12/08/alp…
Great to see another comparative summary of the current spike simulations and cryo-EM data by @palermo_lab! This one focuses more on the recent @ACSCentSci paper by @RommieAmaro lab!!! #compchem #coronavirus
Great to see another comparative summary of the current spike simulations and cryo-EM data by @palermo_lab! This one focuses more on the recent @ACSCentSci paper by @RommieAmaro lab!!! #compchem #coronavirus
Sorta unhinged! cryo-EM and simulations of the full COVID spike reveal the "hinge" motions of its stalk domain. #compchem #coronavirus Read More - themolecularmodel.com/home/beck2020 Full paper - science.sciencemag.org/content/370/65…
Somewhat older paper but still an interesting approach for solving a very serious threat to healthcare. #compchem #proteindesign for optimizing a new class of antibiotics. Read More: themolecularmodel.com/home/frey2010 Paper: pnas.org/content/107/31…
Kemp eliminases are the most successful class of proteins to be designed using in silico approaches. This paper explains the rules of evolution and how to perfect #compchem #proteindesign for new enzymes. Read more: themolecularmodel.com/home/chica2020 Paper: nature.com/articles/s4146…
Another classic paper in the field of #compchem rather #compbiochem. The nature of current biomolecular simulations can be traced back to this paper. Read More: themolecularmodel.com/home/mccammon1… Paper: nature.com/articles/26758…
Heard through the grapevine that Anton 3 (@DEShawResearch ) may be up online soon! Would it beat it's predecessor's record for longest simulation? #compchem #protein #folding Read more: themolecularmodel.com/home/larsen2011 Paper: science.sciencemag.org/content/334/60…
Today I look at the latest paper from @UWproteindesign @veeslerlab and @WUSTLmed where they designed possible inhibitors for #COVID19 spike protein using a computational design strategy. #compchem Read more: themolecularmodel.com/home/cao2020 Paper: science.sciencemag.org/content/early/…
For my "Hello World!" essay, I decided to begin at the beginning, and in this case I mean the beginning of the field of molecular dynamics. The research by Rahman is truly timeless & has laid the foundations of an entirely new branch of science. #compchem themolecularmodel.com/home/rahman1964

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