BIOVIA Computational Chemistry Internship, May - August 2020
Organisation Name: Dassault Systèmes
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Job Description:
Imagine New Horizons… As a BIOVIA Computational Chemistry Intern, within the Discovery Studio Team, you will contribute to the development and validation of protein-ligand binding affinity calculation methods in Discovery Studio. The Discovery Studio team develops computational methods to aid small molecule and biologics discovery. Do you have dreams? Do you enjoy a challenge? Here at Dassault Systèmes, we empower people with passion to change the world. Shape your career with 3DS! #WeAre3DS This is a paid internship available during the May - August 2020 time period. You will be working in the Dassault Systèmes BIOVIA office at 5005 Wateridge Vista Drive, San Diego, CA 92121 What will your role be? Your internship will focus upon methods for calculating protein-ligand binding affinities using either purely physics-based methods or such methods augmented by machine learning (ML). Your work will leverage the rich suite of BIOVIA tools for molecular modeling, simulation, and data modeling. Challenges Ahead Applying free energy methods to publicly available protein-ligand datasets, and refine methods to enhance accuracy. Performing small molecule force-field optimization. Integrating of functionality from simulation packages (eg. CHARMm, NAMD, OpenMM) into Discovery Studio. Specific areas of investigation in a ML augmented track may include: Preparing publicly available binding affinity datasets. Developing structure and physics based descriptors to model protein-ligand binding affinity. Testing and validating variations of ML methods retrospectively. Your Key Success Factors Master’s Degree, or PhD program within Computational Chemistry or like discipline for the duration of the internship. A minimum GPA of 3.0/4.0. Work on site in the BIOVIA office for the duration of the internship Experience with scientific software development. Possesses strong theoretical background in computational chemistry. Demonstrates competency in modeling protein-ligand interactions. Experience in free energy calculations and/or force-field development is highly desirable. Equal opportunity In order to provide equal employment and advancement opportunities to all individuals, employment decisions at 3DS are based on merit, qualifications and abilities. 3DS is committed to a policy of non-discrimination and equal opportunity for all employees and qualified applicants without regard to race, color, religion, gender, sex (including pregnancy, childbirth or medical or common conditions related to pregnancy or childbirth), sexual orientation, gender identity, gender expression, marital status, familial status, national origin, ancestry, age (40 and above), disability, veteran status, military service, application for military service, genetic information, receipt of free medical care, or any other characteristic protected under applicable law. 3DS will make reasonable accommodations for qualified individuals with known disabilities, in accordance with applicable law.
