As a member of computer-aided drug design (CADD) team, you'll be collaborating with research scientists working on drug discovery projects from the stage of target identification to lead discovery and early development. Your role will involve leveraging a blend of computational chemistry, cheminformatics abilities, AI technologies, and molecular science expertise to provide computational chemistry support to clients’ projects. Responsibilities 86 Utilize computational chemistry methods to promote small-molecule drug discovery programs (collaborate with chemists, biologists, and multidisciplinary teams from target evaluation to hit identification, compound optimization towards clinical candidates) 86 Provide SAR explanation from molecular modeling and data analysis viewpoints, contribute to compound design and optimization, devise and implement hypotheses that can be tested to formulate compound design strategies 86 Responsible for detailed project implementation and regular progress reports to clients, adjusting project scope based on results and feedback, ensuring transparency and client satisfaction 86 Undertake scientific method/protocol development (or evaluation) in areas such as structure-based design or binding free energy calculation, or cheminformatics/AI-based virtual screening or binding affinity/molecular property prediction. 86 Responsible for some internal support tasks within the team, such as building virtual libraries, maintaining the computational cluster and etc. Qualifications 86 Ph.D. in Computational Chemistry, Cheminformatics, or a similar field 86 2+ years of industry experience would be advantageous 86 Expertise in the CADD area including SBDD, LBDD, molecular docking, virtual screening, pharmacophore modeling, MD simulation and etc. 86 Proficient with modeling and data analysis/visualization software such as Schrodinger, MOE, Pymol, Amber, StarDrop, RDkit, Knime, LiveDesign, DataWarrior, Gaussion and etc. 86 Experience in (or some of) active-learning based virtual screening, free energy calculation, data mining and visualization, chemical space analysis, compound generative model, quantum mechanics calculation, etc. 86 Excellent communication skills and the ability to formulate clear scientific hypotheses 86 Familiarity with at least one programming language, preferably Python; and proficiency in using Linux OS. 86 Fluency in English, both written and spoken, is a requirement
