Associate Director/Director/Senior Director, Computational Chemistry (CADD)

工作地点：上海浦东         所属类型：Chemistry         发布时间：2020-05-15

岗位描述：

• Work closely with clients, such as major international pharmaceutical and biotech companies on their drug discovery programs

• Responsible for providing computational chemistry support to SBDD projects

• Devise computational strategies to support small molecule design and optimization

• Improve the quality of drug design by introducing computational chemistry methodologies to enhance the utility of X-ray/homology structures, small molecule molecular modeling, in silico modeling, chemical library design, data mining and cheminformatics

• Develop and utilize software for in silico prediction of ADME, biology, and safety properties.

• Work collaboratively with chemists and project teams to design compounds with improved potency, selectivity, functional activity and/or ADME properties.

• Support various database and software systems to collect, disseminate, and analyze all pre-clinical small molecule discovery data to our internal and external scientists

任职资格：

Requirements:

• A Ph.D. (or equivalent) in Computational Chemistry, Organic Chemistry or a related discipline

• 5 years or more of pharma or biotech experience with a focus on computational chemistry and strong understanding of drug design principles

• Track record of technical excellence as shown by peer reviewed publications and inventorship status on patents

• Deep understanding of protein structure and conformation, as well as experience with molecular dynamics simulations

• Industrial experience in driving lead identification and lead optimization using computational chemistry techniques

• Hands-on experience in two or more of the following areas: structure-based drug design including docking, homology modeling, molecular dynamics simulation, free energy calculation; QM/MM calculation, ligand-based drug design including pharmacophore modeling, QSAR, 3D-QSAR, pharmacophore- or shape-based database searching, combinatorial and fragment library design, focused library construction, R-group decomposition, pairwise matching, cliff analysis

• Clear understanding of methodologies and algorithms for assessing similarity and diversity across chemical building block sets as well as within compound collections and experimental datasets

• Familiarity with state-of-the-art modeling and cheminformatics tools such as Schrodinger, MOE, Sybyl, Gold, Discovery Studio, Spartan, Gaussian, Knime, Pipeline Pilot, etc.

• Must be a team player with strong leadership skills as demonstrated by team leadership experience

• Strong written and oral communication skills with the ability to effectively describe results and ideas to clients who may be based all over the world

• Fluency in written and spoken English

Preferred Requirements:

• Expertise with a wide array of computational methods

• Preferably including structure and ligand-based virtual screening, scaffold morphing, programming, statistics, data analysis, QSAR derivation and application, and ADME modeling

• Expert understanding of medicinal chemistry concepts and demonstrated success in addressing medicinal chemistry design challenges

• A strong record of driving projects through to the identification of high quality small-molecule drug candidates

• Awareness of current developments in computational chemistry and ability to identify opportunities to advance the science in this field

• Familiarity with common programming languages such as Python, Perl, Java and C++, as well as functional familiarity with web technologies is a plus.

• Experience with novel workflow design/integration as well as commercial solutions such as Knime, Pipeline Pilot, Dotmatics and related applications is highly desired.

• Familiarity with all techniques and hardware/software relevant to designing protein constructs for crystallization, obtaining crystals and solving protein and protein-ligand complex structures is a plus.