*Dear Sir/Madam,
*I am* Prajwal Nandekar, pursuing Ph.D in Department of
Pharmacoinformatics*at National Institute of Pharmaceutical Education
and Research S.A.S. Nagar,
Punjab, INDIA.
I am working on molecular dynamics studies of Cytochrome P450, I found the
parameter for CYP450 HEME with Fe Five coordinated and hexa coordinated
which are available on website
(
http://www.pharmacy.manchester.ac.uk/bryce/amber<
http://www.pharmacy.manchester.ac.uk/bryce/amber>)
are old since 1984.
heme (all-atom)
PREP<
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/heme_all.in>
FRCMOD<
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/frcmod.hemall>
Giammona<
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/heme_all_inf.html>
heme
(united-atom)
PREP<
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/heme_uni.in>
FRCMOD<
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/frcmod.hemuni>
Giammona<
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/heme_uni_inf.html>
I want to know whether there is any improvement in these parameters
afterwards from your side.
So, to perform molecular dynamics studies on CYP450, *I need "frcmod" and
"parameter" file for Heme
* Shall you please send me these files so that I can proceed further for my
molecular dynamics simulation studies.
Thanking you,
--
*Prajwal Nandekar
Ph. D. Scholar
Department of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research (NIPER)
Sector 67, S.A.S. Nagar, (Punjab) INDIA-160062
Mob. 09780741228*
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Received on Tue Jun 21 2011 - 04:30:03 PDT
