CCL: Announcement: Chemistry from Structure Workshop, Feb 12, 2015, Germantown, MD USA

 Sent to CCL by: "M. Nicklaus" []
 Chemistry from Structure (CFS2015) Workshop
 February 12, 2015, Germantown, MD, USA
The combination of powerful molecular modeling methods with advanced structure analysis technologies, capable of exploring macromolecular structures and their small-molecule ligands at a remarkable level of detail, has resulted in the emergence of a new field dedicated to the simulation, characterization, and annotation of large macromolecules with chemical accuracy. These efforts have begun to close the gap between classical macromolecular models and chemical ones but have resulted in new challenges as well, including computational and informatics ones. This one-day workshop is aimed at discussing the state of the art in instrumentation and software development in this emerging area, to assess its future impact on computer-aided drug design efforts, and to facilitate a conversation that could help us establish priorities, uncover hidden problems, and suggest validation mechanisms for new approaches and techniques.
This free one-day event will be held at Montgomery College in the Bioscience Education Building in Germantown, Maryland.
 Participation is free but registration is requested.
 See for more details
 and registration.
 Raul E. Cachau, Frederick National Lab. for Cancer Research
 Marc C. Nicklaus, NCI/NIH, NCI-Frederick