[AMBER] Regarding the forcefield parameters for cytochrome P450 heme group

From: Patil Pranita Uttamrao <bo19resch01001.iith.ac.in>
Date: Sat, 29 May 2021 01:09:00 +0530

 I would like to do the MD simulation of Cytochrome P450. For that, I got
the heme group parameters for the pentacoordinate ferric(Fe(III)) complex
which is in a high spin state from Shahrokh, Orendt, et al. 2012. However,
I am unable to get the heme parameters for a native hexacoordinate
ferric(Fe(III)) form which is in a low spin state. I would appreciate it
very much if anyone can let me know, where can I get the low spin state(
native hexacoordinate ferric form) parameters of the heme group in Cytochrome

Thanks in advance,

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Received on Fri May 28 2021 - 13:00:03 PDT
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