From owner-chemistry@ccl.net Thu May 22 12:14:00 2014
From: "Partha Sengupta anapspsmo|gmail.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: CYP2B4
Message-Id: <-50112-140522121202-14676-eHfa3kw6oqYy1fFTFAObag**server.ccl.net>
X-Original-From: Partha Sengupta <anapspsmo]~[gmail.com>
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Sent to CCL by: Partha Sengupta [anapspsmo:-:gmail.com]
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Dear Friends, Is it possible to model Cytochrome 450, CYP2B4 for DFT
calculation?
Help.
Partha Sarathi Sengupta

-- 
Dr. Partha Sarathi Sengupta
Associate Professor
Vivekananda Mahavidyalaya, Burdwan

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<div dir=3D"ltr"><div><div>Dear Friends, Is it possible to model Cytochrome=
 450, <span style=3D"font-size:10pt;line-height:115%;font-family:&quot;Taho=
ma&quot;,&quot;sans-serif&quot;;color:black">CYP2B4 for DFT calculation?<br=
>
</span></div><span style=3D"font-size:10pt;line-height:115%;font-family:&qu=
ot;Tahoma&quot;,&quot;sans-serif&quot;;color:black">Help.<br></span></div><=
span style=3D"font-size:10pt;line-height:115%;font-family:&quot;Tahoma&quot=
;,&quot;sans-serif&quot;;color:black">Partha Sarathi Sengupta<br>
</span><div><div><div><br>-- <br>Dr. Partha Sarathi Sengupta<br>Associate P=
rofessor<br>Vivekananda Mahavidyalaya, Burdwan
</div></div></div></div>

--047d7bdc952c34c1a004f9ff5fee--


From owner-chemistry@ccl.net Thu May 22 17:02:01 2014
From: "Victor Rosas Garcia rosas.victor^gmail.com" <owner-chemistry~!~server.ccl.net>
To: CCL
Subject: CCL: CYP2B4
Message-Id: <-50113-140522135014-24613-2AC2lpEXU8eTy63ARAceGw~!~server.ccl.net>
X-Original-From: Victor Rosas Garcia <rosas.victor::gmail.com>
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Date: Thu, 22 May 2014 12:50:09 -0500
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Sent to CCL by: Victor Rosas Garcia [rosas.victor===gmail.com]
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Dear Partha,

my guess is that you will need a huge machine to do such a calculation, but
it may be possible.

hope this helps

Victor


2014-05-22 11:11 GMT-05:00 Partha Sengupta anapspsmo|gmail.com <
owner-chemistry%ccl.net>:

> Dear Friends, Is it possible to model Cytochrome 450, CYP2B4 for DFT
> calculation?
> Help.
> Partha Sarathi Sengupta
>
> --
> Dr. Partha Sarathi Sengupta
> Associate Professor
> Vivekananda Mahavidyalaya, Burdwan
>

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<div dir=3D"ltr"><div><div><div>Dear Partha,<br><br></div>my guess is that =
you will need a huge machine to do such a calculation, but it may be possib=
le.<br><br></div>hope this helps<br><br></div>Victor<br></div><div class=3D=
"gmail_extra">
<br><br><div class=3D"gmail_quote">2014-05-22 11:11 GMT-05:00 Partha Sengup=
ta anapspsmo|<a href=3D"http://gmail.com">gmail.com</a> <span dir=3D"ltr">&=
lt;<a href=3D"mailto:owner-chemistry%ccl.net" target=3D"_blank">owner-chemi=
stry%ccl.net</a>&gt;</span>:<br>
<blockquote class=3D"gmail_quote" style=3D"margin:0 0 0 .8ex;border-left:1p=
x #ccc solid;padding-left:1ex"><div dir=3D"ltr"><div><div>Dear Friends, Is =
it possible to model Cytochrome 450, <span style=3D"font-size:10pt;line-hei=
ght:115%;font-family:&quot;Tahoma&quot;,&quot;sans-serif&quot;;color:black"=
>CYP2B4 for DFT calculation?<br>

</span></div><span style=3D"font-size:10pt;line-height:115%;font-family:&qu=
ot;Tahoma&quot;,&quot;sans-serif&quot;;color:black">Help.<br></span></div><=
span style=3D"font-size:10pt;line-height:115%;font-family:&quot;Tahoma&quot=
;,&quot;sans-serif&quot;;color:black">Partha Sarathi Sengupta<span class=3D=
"HOEnZb"><font color=3D"#888888"><br>

</font></span></span><span class=3D"HOEnZb"><font color=3D"#888888"><div><d=
iv><div><br>-- <br>Dr. Partha Sarathi Sengupta<br>Associate Professor<br>Vi=
vekananda Mahavidyalaya, Burdwan
</div></div></div></font></span></div>
</blockquote></div><br></div>

--bcaec50e613976f73504fa00be0a--


From owner-chemistry@ccl.net Thu May 22 17:43:00 2014
From: "brupalf brupalf:umich.edu" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL: CYP2B4
Message-Id: <-50114-140522143059-28103-0YeY8TWCcBkClEizuZ7JWw*|*server.ccl.net>
X-Original-From: brupalf <brupalf(a)umich.edu>
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Date: Thu, 22 May 2014 13:30:52 -0500
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Sent to CCL by: brupalf [brupalf.^-^.umich.edu]

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Yes:  Danni L. Harris, Jin-Young Park, Larry Gruenke andLucy Waskell =
(2004) "Theoretical study of the ligand=96CYP2B4 complexes: Effect of =
structure on binding free energies and heme spin state", Proteins, 55, =
895 - 914

ciao,
Bruce

Bruce A. Palfey
Associate Professor of Biological Chemistry &
Associate Director, Program in Chemical Biology
Department of Biological Chemistry
University of Michigan Medical School
5220E MSRB III
1150 W. Medical Center Drive
Ann Arbor, MI 48109-0606
(734) 615-2452
brupalf^-^umich.edu

http://www.biochem.med.umich.edu/?q=3Dpalfey
http://www.chembio.umich.edu/people/palfey.html
http://tinyurl.com/webzyme



On May 22, 2014, at 11:11 AM, "Partha Sengupta anapspsmo|gmail.com" =
<owner-chemistry^-^ccl.net> wrote:

> Dear Friends, Is it possible to model Cytochrome 450, CYP2B4 for DFT =
calculation?
> Help.
> Partha Sarathi Sengupta
>=20
> --=20
> Dr. Partha Sarathi Sengupta
> Associate Professor
> Vivekananda Mahavidyalaya, Burdwan


--Apple-Mail=_95273FB4-B46B-4105-8DF5-587039B90922
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<html><head><meta http-equiv=3D"Content-Type" content=3D"text/html =
charset=3Dwindows-1252"></head><body style=3D"word-wrap: break-word; =
-webkit-nbsp-mode: space; -webkit-line-break: after-white-space; =
"><div>Yes: &nbsp;<li id=3D"au1" style=3D"font-family: Arial, 'Lucida =
Grande', Geneva, Verdana, Helvetica, 'Lucida Sans Unicode', sans-serif; =
margin: 0px 5px 0px 0px; padding: 0px; border: 0px; outline: 0px; =
vertical-align: baseline; display: inline; line-height: 1.5em; float: =
none; ">Danni L. Harris,&nbsp;</li><li id=3D"au2" style=3D"font-family: =
Arial, 'Lucida Grande', Geneva, Verdana, Helvetica, 'Lucida Sans =
Unicode', sans-serif; margin: 0px 5px 0px 0px; padding: 0px; border: =
0px; outline: 0px; vertical-align: baseline; display: inline; =
line-height: 1.5em; float: none; ">Jin-Young Park,&nbsp;</li><li =
id=3D"au3" style=3D"font-family: Arial, 'Lucida Grande', Geneva, =
Verdana, Helvetica, 'Lucida Sans Unicode', sans-serif; margin: 0px 5px =
0px 0px; padding: 0px; border: 0px; outline: 0px; vertical-align: =
baseline; display: inline; line-height: 1.5em; float: none; ">Larry =
Gruenke&nbsp;and</li><li id=3D"au4" style=3D"font-family: Arial, 'Lucida =
Grande', Geneva, Verdana, Helvetica, 'Lucida Sans Unicode', sans-serif; =
margin: 0px 5px 0px 0px; padding: 0px; border: 0px; outline: 0px; =
vertical-align: baseline; display: inline; line-height: 1.5em; float: =
none; ">Lucy Waskell (2004) </li><span style=3D"background-color: =
rgb(255, 255, 255); font-family: Arial, 'Lucida Grande', Geneva, =
Verdana, Helvetica, 'Lucida Sans Unicode', sans-serif; line-height: =
14px; ">"Theoretical study of the ligand=96CYP2B4 complexes: Effect of =
structure on binding free energies and heme spin state</span><span =
style=3D"font-family: Arial, 'Lucida Grande', Geneva, Verdana, =
Helvetica, 'Lucida Sans Unicode', sans-serif; line-height: 1.5em; ">", =
Proteins, 55, 895 - 914</span></div><br><div =
apple-content-edited=3D"true">
<div><div style=3D"font-size: 12px; ">ciao,</div><div style=3D"font-size: =
12px; ">Bruce</div><div style=3D"font-size: 12px; "><br></div><div =
style=3D"font-size: 12px; ">Bruce A. Palfey<br>Associate =
Professor&nbsp;of Biological Chemistry&nbsp;&amp;</div><div =
style=3D"font-size: 12px; ">Associate Director, Program in Chemical =
Biology<br>Department of Biological Chemistry<br>University of Michigan =
Medical School<br>5220E MSRB III<br>1150 W. Medical Center Drive<br>Ann =
Arbor, MI 48109-0606<br>(734) 615-2452<br><a =
href=3D"mailto:brupalf^-^umich.edu">brupalf^-^umich.edu</a><br><br><a =
href=3D"http://www.biochem.med.umich.edu/?q=3Dpalfey">http://www.biochem.m=
ed.umich.edu/?q=3Dpalfey</a><br><a =
href=3D"http://www.chembio.umich.edu/people/palfey.html">http://www.chembi=
o.umich.edu/people/palfey.html</a><br></div><div style=3D"font-size: =
12px; "><a =
href=3D"http://tinyurl.com/webzyme">http://tinyurl.com/webzyme</a></div></=
div><div><br></div><br class=3D"Apple-interchange-newline">
</div>

<br><div><div>On May 22, 2014, at 11:11 AM, "Partha Sengupta =
anapspsmo|<a href=3D"http://gmail.com">gmail.com</a>" &lt;<a =
href=3D"mailto:owner-chemistry^-^ccl.net">owner-chemistry^-^ccl.net</a>&gt; =
wrote:</div><br class=3D"Apple-interchange-newline"><blockquote =
type=3D"cite"><div dir=3D"ltr"><div><div>Dear Friends, Is it possible to =
model Cytochrome 450, <span style=3D"font-size: 10pt; line-height: 115%; =
font-family: Tahoma, sans-serif; ">CYP2B4 for DFT calculation?<br>
</span></div><span style=3D"font-size: 10pt; line-height: 115%; =
font-family: Tahoma, sans-serif; ">Help.<br></span></div><span =
style=3D"font-size: 10pt; line-height: 115%; font-family: Tahoma, =
sans-serif; ">Partha Sarathi Sengupta<br>
</span><div><br>-- <br>Dr. Partha Sarathi Sengupta<br>Associate =
Professor<br>Vivekananda Mahavidyalaya, Burdwan
</div></div>
</blockquote></div><br></body></html>=

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