Phd: Development of a QM/MM Docking Code, Switzerland

Computational techniques including docking have become valuable tools for
drug design over the last decades. Main challenges for docking algorithms
include the accurate treatment of polarization and covalent interactions,
for example with transition metal ions, which need to be described on the
quantum chemical level. Goal of this project is the development of a fully
automated on-the-fly quantum mechanical/molecular mechanical (QM/MM) docking
approach and its application to the drug design for anti-cancer targets,
which will be evaluated in the translational research environment of the 
Medical Oncology Center in Lausanne.

We are seeking a highly motivated PhD student with a background in
(theoretical and organic) chemistry, (bio-) physics, or related disciplines
who is willing to work with a multi-disciplinary team. Basic programming
skills and proficiency in spoken and written English are prerequisites.
Starting date is negotiable.

The Swiss Institute of Bioinformatics in Lausanne provides a stimulating and
international environment as well as state-of-the-art computing facilities
and infrastructure. For more information see
http://www.molecular-modeling.ch/.

Candidates should send a letter of motivation, a CV, contact details of two
referees, and a brief statement of research experience electronically to
Vincent Zoete (vincent.zoete@isb-sib.ch) and Ute Roehrig
(ute.roehrig@isb-sib.ch).