From owner-chemistry#* at *#ccl.net Wed Oct 11 03:13:01 2006 From: "Alfred Gil agil-#-cesca.es" To: CCL Subject: CCL: =?ISO-8859-1?Q?Schr=F6dinger_Seminar_on_Drugs_Design_=26?= =?ISO-8859-1?Q?_Jaguar?= Message-Id: <-32756-061011022235-2695-VIGG9D0YaIO6PlWNpvW6TA=server.ccl.net> X-Original-From: Alfred Gil Content-Type: multipart/alternative; boundary="------------080404060400060906020903" Date: Wed, 11 Oct 2006 08:22:04 +0200 MIME-Version: 1.0 Sent to CCL by: Alfred Gil [agil]~[cesca.es] This is a multi-part message in MIME format. --------------080404060400060906020903 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit Dear CCL users, Schrödinger and CESCA have the pleasure of announcing a seminar on drugs design and Jaguar package which will be held at CESCA on October, 18th. This seminar will focus on structure-based lead discovery, structure-based lead optimization and ligand-based design. Furthermore, the Schrödinger's vision for future software solutions in drug discovery will be presented. In addition, an overview of Jaguar will be shown. Jaguar is a high-performance /ab initio/ package for both gas and solution phase simulations, with particular strength in treating metal containing systems, making it the most practical quantum mechanical tool for solving real-world problems. The main topics to be covered are the following: § Accurate docking and scoring for lead optimization § Introduction of Quantum Mechanics in protein/ligand docking § PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening § Overview of Jaguar: an /ab inito/ electronic structure package Schedule: 9.30 am-13.00 pm Address: CESCA Gran Capità, s/n (Edifici Annexus) 08034 Barcelona Attending is free, but it's necessary to register in advance by sending an email to secretaria++cesca.es . Cordially, ------------------------------------------------------------------------ Departament de Secretaria i Promoció Gran Capità, 2-4 (Edifici Nexus) . 08034 Barcelona T. 93 205 6464 . F. 93 205 6979 . promocio ++cesca.es --------------080404060400060906020903 Content-Type: multipart/related; boundary="------------050908020702050301030102" --------------050908020702050301030102 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit
Dear CCL users,
 
Schrödinger and CESCA have the pleasure of announcing a seminar on drugs design and Jaguar package which will be held at CESCA on October, 18th.
 
This seminar will focus on structure-based lead discovery, structure-based lead optimization and ligand-based design. Furthermore, the Schrödinger’s vision for future software solutions in drug discovery will be presented. In addition, an overview of Jaguar will be shown. Jaguar is a high-performance ab initio package for both gas and solution phase simulations, with particular strength in treating metal containing systems, making it the most practical quantum mechanical tool for solving real-world problems.

The main topics to be covered are the following:

§         Accurate docking and scoring for lead optimization

§         Introduction of Quantum Mechanics in protein/ligand docking

§         PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening

§        Overview of Jaguar: an ab inito electronic structure package
Schedule: 9.30 am-13.00 pm
 
Address:
 
CESCA
Gran Capità, s/n (Edifici Annexus)
08034 Barcelona
 
Attending is free, but it's necessary to register in advance by sending an email to secretaria++cesca.es.
 
Cordially,
 

Departament de Secretaria i Promoció

Gran Capità, 2-4 (Edifici Nexus) 08034 Barcelona
T. 93 205 6464 F. 93 205 6979 • promocio++cesca.es

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