CCL: Schrödinger Seminar on Drugs Design & Jaguar



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