Job Description
* Characterize the relationship between the structure and permeability of macrocycles using molecular dynamics simulations and compare it with NMR data.
* Develop novel 3D descriptors that depend on the conformation and environment of the MD simulations.
* Develop and refine machine learning models for predicting permeability in macrocycles.
Secondments planned within the Doctoral Network framework:
* Roche, Switzerland: Experimental determination of PAMPA permeability coefficients for a macrocyclic library with C. Kroll.
* Uppsala University, Sweden: Conformational studies by NMR experiments with M. Erdelyi.
* Bayer, Germany: Conformational sampling of macrocycles with D. Barber.
Preferred starting date: early.
Profile
Applicants should hold a Master's degree in chemistry, computational chemistry, or physics. Experience with machine learning and/or biomolecular simulation is highly advantageous, as are strong programming skills (Python). Proficiency in English, good communication skills, and social competence are required.
We welcome self-motivated candidates with an outstanding academic record, excellent communication skills, and professional integrity.
EU Mobility Rule: Researchers must not have resided or carried out their main activity in the country of the recruiting beneficiary for more than 12 months in the 36 months preceding their recruitment date.
Workplace
The project offers research and training excellence in medicinal chemistry and drug discovery. The partners of MC4DD are leading research groups in this field and actively promote young researchers. Eight academic research groups and five industry partners join forces to create a platform for intersectoral and multidisciplinary mobility and training.
To complement the academic and scientific goals of the doctoral students, the project offers customized research projects, structured interdisciplinary local and network-wide transferable skills training activities, and secondments at top-ranking European universities and industry partners.
We value diversity
ETH Zurich fosters a fair and open environment that allows everyone to grow and flourish.
Curious? So are we.
Please submit your online application until the deadline with the following documents:
* Statement of interest
* Comprehensive CV and publication list
* Names and contact information of two references
* Copies of degree certificates and transcripts
We exclusively accept applications submitted through our online application portal. Applications via email or postal services will not be considered.
Further information about the Computational Chemistry Group can be found on our website. Questions regarding the position should be directed to Prof. Dr. Sereina Riniker.