User 5508363905
10-05-2006 21:52:15
the pKa values predicted for adenine appear to be significantly different from literature values:
N1 5.82 (marvin), 4.15 (lit)
N9 (acidic) 7.41 (marvin) 9.88 (lit)
any ideas?
User 851ac690a0
11-05-2006 22:41:36
Dear Carls,
Thanks for your message.
With the improved pKa calculator I have got the next results. See attached picture.
Please note that we continiously improve the accuracy of the pKa calculator.
Jozsi
User 5508363905
18-05-2006 17:06:51
when do you expect the updated pKa plugin to be released? I installed version 4 and get the same erroneous pKa values for nucleobases
User 5508363905
18-05-2006 22:41:30
Installed version 4.1 not 4 as in previous message.
User 851ac690a0
19-05-2006 12:02:18
Dear Carl,
New version will be released in a couple of days.
Jozsi