From: jobs at ccl.net (do not send your application there!!!)
To: jobs at ccl.net
Date: Tue Jan 9 03:28:44 2024
Subject: 24.01.09 Computational Chemist (Drug Discovery), QDX Technologies, Singapore
Join us at QDX as we seek to revolutionize the field of computational drug design. You will be responsible for developing and implementing our end-to-end computational chemistry pipeline which includes molecular modeling, quantum chemistry, cheminformatics and machine learning. You will engage with our industry and academic partners to use computational methods to design and optimize lead compounds across different biomolecular targets. Through continuous experimental feedback, you will iteratively develop our computational drug discovery workflow. In this role, you will have the opportunity to see the direct impact of your work on real-world problems. Key Responsibilities - Develop our in-house molecular modelling pipelines - Manage projects with external partners; optimize bespoke workflow for each programme - Work closely with software development team to automate workflows where possible - Build robust machine learning models for different predictors using classical and quantum mechanical features - Stay up-to-date with relevant literature; implement and test new methods where necessary - Work collaboratively with a multidisciplinary team to ensure alignment across the company Qualifications Essential: - PhD or MSc in Chemistry, Biochemistry, Bioinformatics, Physics or other related fields - Publications in peer-reviewed academic journals on computational chemistry or related fields - Proficiency in coding (Python preferred) - Working knowledge of command line interface and bash scripting - Familiarity with using high performance computing clusters and/or cloud computing - Practical experience with molecular docking, molecular dynamics and/or Monte Carlo simulations - Familiarity with energy calculations such as Molecular Mechanics Poisson- Boltzmann Surface Area (MMPBSA) and Free Energy Perturbation (FEP) - Ability to work independently and collaboratively - Excellent communication skills (verbal and written) Desirable: - Prior research in computational drug discovery - Experience with computational chemistry software (e.g. OpenEye, Schrdinger, Gaussian and CP2K) - Strong understanding of quantum mechanics - Strong Python programming - Knowledge of enhanced conformational sampling methods such as replica exchange and metadynamics Additional details Location: Singapore/ Remote Employment type: Full-time
Interested candidates are invited to submit their resume, accompanied by a brief cover letter highlighting their relevant experience and motivation for the role, to: http://tinyurl.com/qdxcompchem We appreciate the interest of all applicants. However, only those selected for an interview will be contacted.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!