tag:blogger.com,1999:blog-9633767.post4383609728758692227..comments2024-03-25T09:11:17.877-07:00Comments on The Curious Wavefunction: The details do matterWavefunctionhttp://www.blogger.com/profile/14993805391653267639noreply@blogger.comBlogger2125tag:blogger.com,1999:blog-9633767.post-19441308922011222802010-04-08T11:53:51.419-07:002010-04-08T11:53:51.419-07:00All good points about solvation & thermodynami...All good points about solvation & thermodynamics, but these may be more obfuscatory than enlightening when it comes to molecular modeling. They may also be computationally unattainable. Perhaps if one compared very similar molecules with different activities (i.e. agonist vs antagonist or substrate vs inhibitor), then the essential differences would be more noticeable. We began to do this - see: <a href="http://cogprints.org/4095/" rel="nofollow">http://cogprints.org/4095/</a> but no one seems to have followed up with it.Richard G. Lanzara, Ph.D.https://www.blogger.com/profile/18291781767857330507noreply@blogger.comtag:blogger.com,1999:blog-9633767.post-31082819492364703632010-03-22T03:56:05.567-07:002010-03-22T03:56:05.567-07:00This is true that Niels Bohr has a good point.This is true that Niels Bohr has a good point.Serge Le Coz L'Eternelhttps://www.blogger.com/profile/07223106494481146426noreply@blogger.com