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Date: Tue Apr 24 12:59:13 2018
Subject: 18.04.24 PostDoc in molecular simulations, AstraZeneca, Gothenburg, SE
Title: Computational exploration of protein motions to detect and 
functionally characterize hidden allosteric pockets: develop, 
validate and apply efficient molecular modelling approaches. 

Postdoc project description:
Nowadays, there are more than 30 allosteric modulators in clinical
 development, which indicates a growing interest of Pharma industry
 in allosteric control. At AZ, we have many projects targeting 
 allosteric binding sites covering all our disease areas and all 
 major target classes. However, so far, in most cases the discovery
 of allosteric sites comes as a surprise, rather than a result of 
 dedicated efforts. The aim of the Postdoc project is to change 
 this situation and develop a predictive approach for identification
 of allosteric pockets using modern computational techniques. 
 A combined approach bridging Monte Carlo and enhanced MD has 
 the high potential to become a game changer in this field. You will
 have the opportunity to work closely with experts in all relevant
 fields: crystallographers, biophysicists, computational chemists, 
 etc. and you will have access to relevant AZ internal experimental
 data not elsewhere available and modern supercomputing facilities.
 All in all, we are offering a challenging and very important 
 scientific problem together with the right working environment 
 to make this a success.
This project will be supported by experienced computational chemists
 and crystallographers from AZ, who drive novel and recognized 
 research in the field (see e.g. Refs. [1,2,3]). Also, you will get
 input from key academic experts. You'll update and seek input from
 the group at regular project meetings, will present to the wider 
 community of AZ computational chemists, postdoc groups, and the 
 senior leadership team. You will be further responsible for planning
 and writing of scientific papers in high impact journals and 
 presenting the work in international conferences.

[1] Cheng et al. Structural insight into allosteric modulation of 
protease-activated receptor 2, Nature 2017, 545 (7652), 112-115
[2] Grebner et al. Exploring Binding Mechanisms in Nuclear Hormone 
Receptors by Monte Carlo and X-ray-derived Motions, 
Biophysical Journal 2017, 112 (6), 1147-1156
[3] Grebner et al." Binding Mode and Induced Fit Predictions for 
Prospective Computational Drug Design, Journal of Chemical 
Information and Modeling 2016, 56 (4), 774-787

Essential Education and Experience Required:
- PhD or similar degree in physical chemistry, (bio)-physics, 
molecular biology, molecular modelling or similar field
- Solid knowledge of statistical thermodynamics and theory behind 
the molecular simulation methods
- Ability to write scripts in Python, Shell, etc. and/or code 
in any of the programming languages
- Knowledge of Linux and High Performance Computing facilities

You have experience with some of the following:
- molecular simulations (MD, Monte-Carlo, etc.) of biomolecules
- exploring conformational space of biomolecules: peptide, proteins,
- enhanced sampling techniques: metadynamics, umbrella sampling,
 replica exchange, etc. including knowledge of appropriate collective
 variables to enhance biomolecule conformational search
- different biomolecular force fields 
- searching cryptic pockets in biomolecules
- coding interfaces between different simulation packages
- writing scripts/tools for automated simulation setup and trajectory 

Skills and capabilities required:
- Scientific independence, with excellent time management skills, 
forward planning and delivery focus
- Strong written and oral communication skills and ability to work
 well in multidisciplinary teams
- Demonstrated track record of good-quality scientific publications

This is a 3 year programme. 2 years will be a Fixed Term Contract, 
with a 1 year extension which will be merit based.  The role will 
be based in Gothenburg, Sweden with a competitive salary on offer. 
To apply for this position, please click the apply link below.
Advert opening date  5th March 2018 / Advert closing date 
 13th May 2018

AstraZeneca (AZ) Postdoc programme:

Were currently looking for talented scientists to join our 
innovative academic-style Postdoc. From our centre in Gothenburg,
 SE, youll be in a global pharmaceutical environment, contributing
 to live projects right from the start. Youll take part in 
 a comprehensive training programme, including a focus on drug 
 discovery and development, given access to our existing Postdoctoral
 research, and encouraged to pursue your own independent research 
 in cutting edge laboratories. Its a newly expanding programme 
 spanning a range of therapeutic areas across a wide range of disciplines.
Whats more, youll have the support of a leading academic advisor, 
wholl provide you with the guidance and knowledge you need to develop 
your career. This is an exciting area that hasnt been explored to its
 full potential, making this an opportunity to make a real difference
 to the future of medical science.
AstraZeneca (AZ) is a global, innovation-driven biopharmaceutical business
 that focuses on the discovery, development and commercialisation of 
 prescription medicines for some of the worlds most serious diseases. 
 But we're more than one of the world's leading pharmaceutical companies. 
 At AZ, we're proud to have a unique workplace culture that inspires 
 innovation and collaboration. Here, employees are empowered to express
 diverse perspectives - and are made to feel valued, energised and rewarded
 for their ideas and creativity.

AZ welcomes applications from all sections of the community. AZ is 
an equal opportunity employer. AZ will consider all qualified applicants
 for employment without discrimination on grounds of disability, sex or
 sexual orientation, pregnancy or maternity leave status, race or 
 national or ethnic origin, age, religion or belief, gender identity 
 or re-assignment, marital or civil partnership status, protected veteran
 status (if applicable) or any other characteristic protected by law.
If you share our passion for scientific excellence, find out more at;

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