Responsibilities:
1. Develop AI drug virtual generation and screening platform algorithm
2. Database based algorithm training, verification and testing, platform construction and maintenance
3. Develop a new algorithm for relative or absolute binding free energy of host guest system
4. Application of structure and ligand based drug design and prediction modeling
5. Promote drug discovery projects with interdisciplinary teams composed of pharmaceutical chemists, protein chemists and structural biology
6. Be responsible for project schedule management, give full play to the spirit of team cooperation, and maintain good and smooth communication with other members during project promotion
7. Complete other daily work, temporary and sudden work assigned by leaders
Qualifications:
1. Master's or doctor's degree in computational chemistry, quantum chemistry, physical chemistry, Pharmaceutical Informatics, computational information or related fields
2. Must have one or more of the following technical capabilities:
1) Have research experience in force field parameters
2) Have research experience in chemiformatics and master the simplified molecular linear input specification SMILES or other forms of molecular structure characterization
3) Be familiar with molecular modeling software, such as Schrodinger, KNIME, MOE, OpenEye, etc
3. Experience in protein advanced molecular dynamics simulation technology
4. Understand the physicochemical properties of small molecules and their interaction with proteins
5. Independent thinking and scientific research ability
6. Strong summary and analysis, excellent English reading and writing skills
7. Have good teamwork and dedication, take the work seriously and responsibly
8. Strong communication skills and enthusiasm to work in an interdisciplinary team environment