From chemistry-request {*at*} server.ccl.net Fri Mar 29 03:42:45 2002 Received: from hermes.bmc.uu.se ([130.238.39.245]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2T8gip19993 for ; Fri, 29 Mar 2002 03:42:45 -0500 Received: from XRAY.bmc.uu.se ([130.238.37.10]) by hermes.bmc.uu.se (Post.Office MTA v3.5.3 release 223 ID# 0-62649U1500L1000S0V35) with ESMTP id se; Fri, 29 Mar 2002 09:42:29 +0100 Received: from zorn.bmc.uu.se (IDENT:spoel*- at -*zorn.bmc.uu.se [130.238.37.95]) by XRAY.bmc.uu.se (8.11.6/8.8.7) with ESMTP id g2T8jp132734; Fri, 29 Mar 2002 09:45:51 +0100 Date: Fri, 29 Mar 2002 10:45:12 +0100 (CET) From: David van der Spoel X-Sender: spoel- at -zorn.bmc.uu.se To: Kaiming Wang cc: chemistry |-at-| ccl.net Subject: Re: CCL:Any good paper on Grid-based interactions? In-Reply-To: <20020328221032.34127.qmail |-at-| web20503.mail.yahoo.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Thu, 28 Mar 2002, Kaiming Wang wrote: > >Hello, >I wonder if you can tell me some good articles on the methods of >grid-based potential calculations. The more detail and more updated, the better. Autodock uses it. ;at;Article{Morris98a, author = {G. M. Morris and D. S. Goodsell and R. S. Halliday and R. Huey and W. E. Hart and R. K. Belew and A. J. Olson}, title = {Automated docking using a {L}amarckian genetic algorithm and an empirical binding free energy function}, journal = {J. Comp. Chem.}, year = 1998, volume = 19, pages = {1639-1662} } Groeten, David. ________________________________________________________________________ Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry Husargatan 3, Box 576, 75123 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 spoel(+ at +)xray.bmc.uu.se spoel(+ at +)gromacs.org http://zorn.bmc.uu.se/~spoel ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++