Our client is actively seeking an exceptional and profoundly motivated computational chemist to provide assistance to our internal chemistry team, dedicated to the pursuit of drug discovery programs targeting SLCs and other challenging-to-address objectives. By employing a unique platform for small molecule screening, our research endeavors aim to uncover novel small molecules capable of effectively engaging these demanding targets. This exploration of target biology will ultimately lead to the development of viable drug candidates with significant clinical value for patients. As a computational chemist, you will play an integral role within interdisciplinary project teams comprising talented and imaginative individuals, influencing various projects at different stages of discovery and development. A strong commitment to excellence and a fervent passion for drug discovery and development are indispensable. The specific level of the position can be adjusted based on the candidate's experience.

Responsibilities

• Execute drug design and data analysis using structure and ligand-based approaches.
• Facilitate medicinal chemistry design efforts by employing contemporary computational and modeling methods, with a comprehensive understanding of SAR, ADME properties, and target biology.
• Advocate for emerging prospects in ligand-based (pharmacophore modeling, shape-based expansion) and structure-based design (homology modeling, virtual screening).
• Formulate hypotheses regarding the mechanism of action and binding modes of lead compounds, drawing upon an in-depth comprehension of current structural biology and homology models.

Desired Qualifications & Past Experience

• Possession of a computational chemistry Ph.D., accompanied by postdoctoral or industry experience.
• Proficiency and familiarity with state-of-the-art structure-based and ligand-based techniques, coupled with practical hands-on involvement employing these methods to drive small molecule drug design.
• Expertise in utilizing chemistry toolkits and molecular dynamics software, preferably Schrodinger, Gromacs, and WESTPA.
• Prior exposure to molecular modeling workflows, such as conformational analysis, docking, and binding site assessment.