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 (firstname.lastname@example.org) and Ute Roehrig (email@example.com).