From churca@opium.q1.fcen.uba.ar Thu Dec 18 18:41:10 1997 Received: from opium.q1.fcen.uba.ar for churca@opium.q1.fcen.uba.ar by www.ccl.net (8.8.3/950822.1) id SAA12958; Thu, 18 Dec 1997 18:12:44 -0500 (EST) Received: from localhost (churca@localhost) by opium.q1.fcen.uba.ar (8.8.0/8.8.0) with SMTP id TAA28596; Thu, 18 Dec 1997 19:41:26 -0300 Date: Thu, 18 Dec 1997 19:41:26 -0300 (ARST) From: Adrian Turjanski To: chemistry@www.ccl.net cc: mw@crystal.uwa.edu.au Subject: Molecular Modeling and Industries Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, I'm sending the answers i got about my question of molecular modeling and industries. This was my question: Hi, > I had an answer to my question about molecular modeling and > indusries, and perhaps i didn't express my self correctly. > > I know that the question is too general. > > What i want is that some of you send me some brief information, > like with pharmaceuticals industries have you been working with, or > internet places where I can get some information.Or perhaps in wich subject, > like biological activity of a drug or to predict estability of a > compound etc .... > > This is only to have an idea. Perhaps it is very common for some of you > to work with industries and this questions is like " please tell me what > have you been doing in the last three years". Where I work this is not the > case, i don't know about any industrie that uses molecular modeling in > their research. > > I know that i can find some information looking at some journals or > by making a search over internet. I'm just asking for some help from those > of you that are more familiar with the subject. > > Anything that can give me some orientation or new ideas is welcome. > I'm sorry is this question my disturb some of you. > Here are the answers --------------------------------------------------------------- Hi Adrian, have a look to these pages: http://www.cray.com/solutions/examples/dupont.html http://www.cis.um.edu.mt/~phcy/symp97/jonathan.htm hope it helps a little bye Bruno ------------------------------------------------------- 1) Pfizer, Merck, Vertex, Janssen Research Foundation, Dupont-Merck, Amgen, Abbott, Parke-Davis, Schering-Plough todas estas compa~nias gigantes tienen grupos de Computational Chemistry/ Molecular Modeling. Naturalmente, cada compa~nia tiene su area de interes y especializacion que es dificil, si bien no imposible, saber. Algunas de las compa~nias mencionadas tienen grupos que desarrollan programas para estudiar en detalle las interacciones entre peque~nas moleculas y sus enzimas de interes (o receptores). ------------------------------------------------------------------------ I am afraid that I agree with Lief Norskov's answer to your original question - it is impossible to answer. Now your question is more like "where can I get some idea's or information on how Molecular Modeling is used by the industries". I think that the web pages by Molecular Simulations (MSI) would provide a suitable entrance for your question (www.msi.com). They have a comprehensive collection of modeling products covering a wide area. There are also some case studies, which could be useful to look at: http://www.msi.com/info/applications/index.html MSI is actually making a big business on this topic -- so yes, Molecular Modeling is definitely used by the industries :) Hope this helps Morten ------------------------------------------------------------------------- Dear Adrian: You might take a look at our web site (http://www.wavefun.com). There is information there on what you're looking for, and links to other places with more information... Regards, Shawn Butler --------------------------------------------------------------------------- Regarding to your recent question at CCL about Molecular Modeling in industry, I suggest you to check Web sites of software developpers like MSI (www.msi.com) or TRIPOS (www.tripos.com). In these sites you will find some industrial applications of computational chemistry software. Best regards. francois.hutschka@total.com -------------------------------------------------------------------------