tag:blogger.com,1999:blog-9633767.post8558604145209643870..comments2024-03-25T09:11:17.877-07:00Comments on The Curious Wavefunction: Enabling an antibody to jump the species barrierWavefunctionhttp://www.blogger.com/profile/14993805391653267639noreply@blogger.comBlogger3125tag:blogger.com,1999:blog-9633767.post-70662788988151543652010-01-27T09:44:56.785-08:002010-01-27T09:44:56.785-08:00Nice post! Recently I thought about the same thing...Nice post! Recently I thought about the same thing in the context of clinical studies for monoclonal antibodies. How do you predict toxicity of a human antibody in rats?Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-9633767.post-8863749165531231632009-07-29T18:22:36.564-07:002009-07-29T18:22:36.564-07:00Considering water would definitely lead to some in...Considering water would definitely lead to some interesting results since a water "ring" around hydrophobic residues has been implicated in protein-protein binding. Using Desmond/Watermap would of course be interesting, especially with the microsecond MD capability.Wavefunctionhttps://www.blogger.com/profile/14993805391653267639noreply@blogger.comtag:blogger.com,1999:blog-9633767.post-19267384376626096282009-07-29T11:29:10.873-07:002009-07-29T11:29:10.873-07:00Interesting work, 1 of 8 predictions worked but it...Interesting work, 1 of 8 predictions worked but it did, that's good for molecular mechanics with approximations. I wonder how often people have considered water/solvent affects in antigen-antibody computational calculations and if accounting for real water especially harnessing Desmond/Watermap kind of MD calculations can be even better in such cases?funkydrughttps://www.blogger.com/profile/15912350165170313375noreply@blogger.com