From chemistry-request@server.ccl.net Sat Mar 1 20:28:37 2003 Received: from mail.shcnc.ac.cn ([202.127.16.28]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h221Saa20628 for ; Sat, 1 Mar 2003 20:28:36 -0500 Received: from DATA4 ([202.127.19.226]) by mail.shcnc.ac.cn (8.12.1/8.12.1) with SMTP id h22HSq9B011526 for ; Sun, 2 Mar 2003 09:28:52 -0800 (PST) Message-ID: <001701c2e05a$fc548070$e2137fca@simm.ac.cn> Reply-To: "Mingyue Zheng" From: "Mingyue Zheng" To: Subject: Is here anyone have a program for Pka Calculating? Date: Sun, 2 Mar 2003 09:28:10 +0800 Organization: SIMM MIME-Version: 1.0 Content-Type: text/plain; charset="utf-8" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1106 Disposition-Notification-To: "Mingyue Zheng" X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1106 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from base64 to 8bit by server.ccl.net id h221Sba20631 Hi! all cclers. Could anyone recommend me a free program for Pka Calculating?Better with source code. Thanks in advance. Best wishes! UTF-8 ********************************************** Mingyue Zheng Drug Design & Discovery Center SIMM,China Acadmy of Science 294 Tai Yuan Road, Shanghai,200031 P.R.China Tel:021-64311833-507 E-Mail:myzheng@mail.shcnc.ac.cn ********************************************** From chemistry-request@server.ccl.net Sun Mar 2 11:29:36 2003 Received: from ns0.scripps.edu ([192.42.82.58]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h22GTZa25132 for ; Sun, 2 Mar 2003 11:29:35 -0500 Received: from antigen.scripps.edu (antigen.scripps.edu [137.131.200.100]) by ns0.scripps.edu (8.11.6/TSRI-4.1rx) with SMTP id h22GTW807184 for ; Sun, 2 Mar 2003 08:29:32 -0800 (PST) Received: from relay2.scripps.edu(137.131.200.30) by antigen.scripps.edu via csmap id 11304; Sun, 02 Mar 2003 08:21:35 -0800 (PST) Received: from gage.scripps.edu (gage.scripps.edu [137.131.252.115]) by relay2.scripps.edu (8.11.6/TSRI-4.2rAV) with ESMTP id h22GTQC03840; Sun, 2 Mar 2003 08:29:26 -0800 (PST) Received: from gage (localhost [127.0.0.1]) by gage.scripps.edu (8.9.2/TSRI-3.0.1) with ESMTP id IAA29828; Sun, 2 Mar 2003 08:01:58 -0800 (PST) Message-Id: <200303021601.IAA29828@gage.scripps.edu> To: chemistry@ccl.net Cc: "Mingyue Zheng" , bashford@scripps.edu Subject: Re: CCL:Is here anyone have a program for Pka Calculating? In-Reply-To: Your message of "Sun, 02 Mar 2003 09:28:10 +0800." <001701c2e05a$fc548070$e2137fca@simm.ac.cn> Date: Sun, 02 Mar 2003 08:01:57 -0800 From: Don Bashford >>>>> "MZ" == Mingyue Zheng writes: MZ> Hi! all cclers. Could anyone recommend me a free program for MZ> Pka Calculating?Better with source code. Thanks in advance. MZ> Best wishes! If it's protein sidechains you're interested in, try the multiflex program of the MEAD package, which is free software (GPL) with source code. ftp from ftp.scripps.edu, in directory, pub/electrostatics. Cheers, Don Bashford From chemistry-request@server.ccl.net Sun Mar 2 05:41:56 2003 Received: from smtp-gateway.jenapharm.de ([62.180.96.99]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h22Afua19600 for ; Sun, 2 Mar 2003 05:41:56 -0500 To: "Adel Abbas Ali Elazhary Sci. College" Cc: chemistry@ccl.net X-Mailer: Lotus Notes Version 5.0.2c (Intl) 08 Februar 2000 Message-ID: From: Alexander.Hillisch@Jenapharm.de Date: Sun, 2 Mar 2003 11:41:57 +0100 Subject: CCL:Drug design and QSAR books X-MIMETrack: Serialize by Router on JE0015/JE/SRV/SHG(Release 5.07a |May 14, 2001) at 02.03.2003 11:45:21 MIME-Version: 1.0 Content-type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id h22Afua19601 Dear Adel, dear CCL'ers, Rolf Hilgenfeld and I have recently edited a book with the title "Modern Methods of Drug Discovery". Several chapters deal with ligand- and protein structure-based drug discovery methods which could be of interest to you. Below you will find some information on the book. Title: Modern Methods of Drug Discovery Authors: Alexander Hillisch (Editor), Rolf Hilgenfeld (Editor) Binding: Hardcover Number of Pages: 304 Publication Date: 2003 Publisher: Birkhäuser Verlag AG ISBN: 3-7643-6081-X Additional information is available at the Birkhauser homepage: http://www.birkhauser.ch/books/biosc/exs/6081.htm A flyer including ordering information can be downloaded at the EnTec homepage: http://www.entec-jena.de/html/mmdd_book.html Yours sincerely. Alexander Hillisch ------------------------------------------------------------------------------ Dr. Alexander Hillisch EnTec GmbH Structural Bioinformatics and Drug Design Adolf-Reichwein-Str. 20 Phone: +49-3641-65-8430 D-07745 Jena, Mobile: +49-179-7304760 GERMANY Fax: +49-3641-65-8436 e-Mail: alexander.hillisch@entec-jena.de URL: http://www.entec-jena.de