Post Doc Position in Computational Simulations of
2 settimane fa
**Post Doc position in Computational Simulations of proteins and nucleic acids with impact on drug discovery**
- (24000097)
- Commitment & contract: 1-year collaboration contract_, renewable_
- Location: Genova, Via Enrico Melen 83_
**WHO WE ARE**
At IIT we work enthusiastically to develop human-centered Science and Technology to tackle some of the most pressing societal challenges of our times and transfer these technologies to the production system and society. Our Genoa headquarter is strictly inter-connected with our 11 centers around Italy and two outer-stations based in the US for a truly interdisciplinary experience.
**YOUR TEAM**
The Molecular Modeling and Drug Discovery Research Unit is coordinated by Dr. Marco De Vivo, who has extensive experience in computational and medicinal chemistry for enzymatic catalysis and drug discovery.
Our lab is a multicultural and multidisciplinary team where you will collaborate closely with both computational and experimental researchers in medicinal chemistry, biochemistry, and structural biology. Our research focuses on leveraging computational methods—including molecular dynamics simulations, enhanced sampling techniques, docking, and alchemical binding free energy calculations—to advance drug design. We aim to unravel the mechanisms of pharmaceutically relevant targets and translate this mechanistic understanding of chemical events in complex systems into the design of potent inhibitors and drug-like molecules.
Our lab adopts a function-to-inhibition approach, studying pharmaceutically relevant targets at the atomistic level to inform the design of functional modulators for drug discovery. Projects combine advanced simulations with experimental efforts to dissect the mechanisms of function and inhibition. Computational methods, including molecular dynamics and machine-learning-enhanced sampling, will be employed to explore catalysis, protein-nucleic acid recognition, and the function of RNA/DNA/protein complexes. The work involves close collaboration with AI experts, structural biologists, medicinal chemists, neuroscientists, and pharmacologists.
Ultimately, this environment and approach offer the concrete opportunity to integrate advanced molecular simulations with experiments to address complex biophysical questions related to nucleic acids and proteins, initiating innovative drug discovery efforts.
Within the team, your main responsibilities will be:
- Molecular modeling and simulations of all-atoms systems
- Document practical work using lab workbooks
- Present your work to the team
**WHAT WOULD MAKE YOU SHINE**
- A PhD in Chemistry, Physics or related disciplines
- Documented experience on MD simulations and enhanced sampling methods
- Experience in alchemical binding free energy calculations for drug design is a plus
- Experience in method development, programming and scripting abilities are highly desirable
- The ability to properly report, organize and publish research data
- Good command in spoken and written English
**EXTRA AWESOME**
- Knowledge of molecular modeling related to drug design
- Possess a sense of scientific curiosity and be capable of mastering new computational methods, as required
- Good communication skills
- Strong problem-solving attitude
- High motivation to learn
- Spirit of innovation and creativity
- Good in time and priority management
- Ability to work in a challenging and international environment
- Ability to work independently and collaboratively in a highly interdisciplinary environment
**COMPENSATION & BENEFITS**
- Competitive salary package for international standards. It will reflect your experience and expertise and will be determined after your interview.
- Private health care coverage
- Wide range of staff discounts
***WHAT’S IN FOR YOU?**
- An equal, inclusive and multicultural environment ready to welcome you with open arms. Discrimination is a big NO for us
- We like contamination and encourage you to mingle and discover what other people are up to in our labs
- If paperwork is not your piece of cake, we got you There’s a specialized team working to help you with that, especially during your relocation
- If you are a start upper or a business-minded person, you will find some exceptionally gifted professionals ready to nurture and guide your attitude and aspirations.
- If you want your work to have a real impact, in IIT you will find an innovative and stimulating culture that drives our mission to contribute to the improvement and well-being of society
- We stick to our values Integrity, courage, societal responsibility and inclusivity are the values we believe in They define us and our actions in our everyday life. They guide us to accomplish IIT mission
If you feel this tickles your appetite for change, do not hesitate and apply
**Application’s deadline: January 31**st**, 2025**
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- We inform you that the information you provide will be used solely for the purposes of evaluati
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