Robert A. Stavenger This email address is being protected from spambots. You need JavaScript enabled to view it. (Coordinator)
Antibacterial Discovery
Infectious Disease Therapy Area Unit
GlaxoSmithKline, USA
Mathias Winterhalter This email address is being protected from spambots. You need JavaScript enabled to view it. (Leader of the Managing Entity)
Professor of Biophysics
School of Engineering & Science - SES
Jacobs University Bremen, Germany
+ 49 421 200 3248
IMI is the world’s largest public-private partnership in health care. IMI is improving the environment for pharmaceutical innovation in Europe by engaging and supporting networks of industrial and academic experts in collaborative research projects. The European Union contributes €1 billion to the IMI research programme, which is matched by in kind contributions worth at least another €1 billion from the member companies of the European Federation of Pharmaceutical Industries and Associations (EFPIA).
The Innovative Medicines Initiative currently supports 40 projects, many of which are already producing impressive results. The projects all address major bottlenecks which will lead to accelerate the development of safer and more effective treatments for patients.
Avenue de la Toison d'Or 56-60
B-1060 Brussels (Belgium)
Telephone: +32 (0)2-221 81 81
More info: www.imi.europa.eu
The European Federation of Pharmaceutical Industries and Associations (EFPIA) represents the pharmaceutical industry operating in Europe. Through its direct membership of 33 national associations and 39 leading pharmaceutical companies, EFPIA is the voice on the EU scene of 1,900 companies committed to researching, developing and bringing to patients new medicines that will improve health and the quality of life around the world.
EFPIA supports a vision of modern and sustainable healthcare systems in Europe, where patients have equal and early access to the best and safest medicines, which supports innovation, empowers citizens to make informed decisions about their health and ensures the highest security of the medicines supply chain.
EFPIA Brussels Office
Leopold Plaza Building
Rue du Trône 108
Brussels (Belgium)
+32 (0)2 626 25 55
This email address is being protected from spambots. You need JavaScript enabled to view it.
More info: www.efpia.eu
Database of force-field parameters, dynamics and properties of antibiotics.
For each compound the database provides the General Amber Force Field parameters for the most likely conformer at physiological pH, together with an analysis of molecular properties of interest extracted from microsecond-long molecular dynamics simulations. In addition, the database includes several key molecular parameters, such as partial charges, dipole moment, rotational constants, vibrational frequencies, frontier energy levels, computed homogeneously via Density Functional Theory methods. This work represents the first step of a wider project aiming at creating a database containing for each compound different information with increasing level of complexity and reliability.
The repository is no longer access restricted. Please try at http://www.dsf.unica.it/translocation/db/
General Data Protection Regulation
We would like to inform you about the management of your personal data in accordance with Art. 13 General Data Protection Regulation (GDPR).
A German and English version can be downloaded here.