From owner-chemistry@ccl.net Thu Apr 30 03:56:01 2009 From: "neeraj misra neerajmisra- -hotmail.com" To: CCL Subject: CCL:G: configuration Message-Id: <-39209-090430035435-4235-4zD1IvDnHVA7hXWtGT4Xhw()server.ccl.net> X-Original-From: "neeraj misra" Date: Thu, 30 Apr 2009 03:54:31 -0400 Sent to CCL by: "neeraj misra" [neerajmisra(-)hotmail.com] Please any of you suggest me the right system configuration for installing Linux.I intend to install gaussian 03 and molden on it and do some DFT calculations.I want to have an idea of the type of processor/HDD/RAM etc.. Thanks in advance From owner-chemistry@ccl.net Thu Apr 30 06:55:01 2009 From: "Kshatresh Dutta Dubey kshatresh . gmail.com" To: CCL Subject: CCL: Docking Problem Message-Id: <-39210-090430065257-14447-NWNTFH34voZ5sO6eL7LqHA,server.ccl.net> X-Original-From: Kshatresh Dutta Dubey Content-Type: multipart/alternative; boundary=001e680f0e800e7ea50468c37f46 Date: Thu, 30 Apr 2009 16:22:46 +0530 MIME-Version: 1.0 Sent to CCL by: Kshatresh Dutta Dubey [kshatresh+*+gmail.com] --001e680f0e800e7ea50468c37f46 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Dear subscribers , i have docked a ligand into a protein by both virtual docking as well as induced fit and got same docking score. What does this result signifiy????? thanks in advance Kshatresh dutta dubey --001e680f0e800e7ea50468c37f46 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Dear subscribers ,
=A0i have docked a ligand into a protein = by both virtual docking as well as induced fit and=A0 got same docking scor= e. What does this result signifiy????? =A0=A0
=A0thanks in advanc= e
Kshatresh dutta dubey
--001e680f0e800e7ea50468c37f46-- From owner-chemistry@ccl.net Thu Apr 30 07:57:00 2009 From: "Vincent.Leroux[A]loria.fr" To: CCL Subject: CCL: Docking Problem Message-Id: <-39211-090430075524-10751-taquGaRCuZgQZdOp2wtNPA]^[server.ccl.net> X-Original-From: Vincent.Leroux : loria.fr Content-Disposition: inline Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=UTF-8; DelSp="Yes"; format="flowed" Date: Thu, 30 Apr 2009 13:55:10 +0200 MIME-Version: 1.0 Sent to CCL by: Vincent.Leroux(0)loria.fr Probably that you ended up with the same docked conformation in both cases. "Kshatresh Dutta Dubey kshatresh . gmail.com" =20 a =C3=A9crit=C2=A0: > Dear subscribers , > i have docked a ligand into a protein by both virtual docking as well as > induced fit and got same docking score. What does this result signifiy???= ?? > > thanks in advance > Kshatresh dutta dubey > From owner-chemistry@ccl.net Thu Apr 30 22:48:00 2009 From: "Philip James McHale pmchale~!~cambridgesoft.com" To: CCL Subject: CCL: Reminder: 2010 Herman Skolnik Award - Call for Nominations Message-Id: <-39212-090430192116-25902-hALsTO8mydhbJ0/uuACf7Q:+:server.ccl.net> X-Original-From: "Philip James McHale" Date: Thu, 30 Apr 2009 19:21:12 -0400 Sent to CCL by: "Philip James McHale" [pmchale^-^cambridgesoft.com] 2010 Herman Skolnik Award Call for Nominations The ACS Division of Chemical Information established this Award to recognize outstanding contributions to, and achievements in, the theory and practice of chemical information science. The Award is named in honor of the first recipient, Herman Skolnik. By this Award, the Division of Chemical Information is committed to encouraging the continuing preparation, dissemination and advancement of chemical information science and related disciplines through individual and team efforts. Examples of such advancement include, but are not limited to, the following: * Design of new and unique computerized information systems; * Preparation and dissemination of chemical information; * Editorial innovations; * Design of new indexing, classification, and notation systems; * Chemical nomenclature; * Structure-activity relationships and numerical data correlation and evaluation; * Advancement of knowledge in the field The Award consists of a $3000 honorarium and a plaque. The recipient is expected to give an address at the time of the Award presentation, typically at the Fall ACS National Meeting. In recent years, the Award Symposium has been organized by the recipient. Nominations for the Herman Skolnik Award should describe the nominee's contributions to the field of chemical information and should include supportive materials such as a biographical sketch and a list of publications and presentations. Three seconding letters are also required. Nominations and supporting material should be sent by email to Phil McHale at philmchale.:+:.comcast.net. Paper submissions are no longer acceptable. The deadline for nominations for the 2010 Herman Skolnik Award is June 1, 2009. Phil McHale, CINF Awards Chair Dr. Phil McHale (650) 235-6169 (Mobile) philmchale.:+:.comcast.net