The ideal person has extensive expertise in state-of-the art ligand-based and structure-based drug design methods and has contributed to the advancement of small molecule projects through all stages of drug discovery, including development candidate selection. Of particular importance is the ability to build strong collaborations with medicinal chemists and structural biologists to help shape the company’s scientific drug discovery strategies.

The successful candidate will help to build our Computational Chemistry capabilities and will collaborate with and support Medicinal Chemistry, Structural Biology, Bioinformatics and Discovery Sciences departments.

Requisition Id10595 Overview: Oak Ridge National Laboratory is the largest US Department of Energy science and energy laboratory conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security.Our capabilities span a broad range of scientific and engineering disciplines enabling the Laboratory to explore fundamental science challenges and to carry out the research needed to accelerate the delivery of solutions to the marketplace.

The Department of Chemistry at Clemson University invites applications for a 12-month non-tenure track, computational chemistry, faculty position. Applicants must possess a PhD degree in Chemistry or a related field and have direct experience in the application of various computational methods to chemical research. The primary responsibility of the selected candidate will be to support the research programs of Chemistry faculty, in all chemistry disciplines, through the application of established computational chemistry methods.

Applications are invited for a Postdoctoral Research Associate in Computational Chemistry to work under the supervision of Professor Fernanda Duarte Gonzalez for a period of up to 18 months. This position is to carry out research in computational chemistry, including reaction mechanism modelling and software development.

One postdoctoral fellow in computational chemistry is available immediately at the Department of Natural Sciences at Baruch College, the City University of New York (CUNY). The initial appointment is 1 year, and could be extended to 3 years upon mutual agreements. You will be primarily contributing to therapeutic peptide design by means of fundamental studies on protein-peptide interactions. A variety of computational approaches will be employed, including but not limited to, atomistic simulations, MARTINI coarse-grained simulations, and machine learning.

The Hybrid Computational/Experimental Materials Scientist serves as a scientific subject matter expert on multidisciplinary project teams working to bring new medicines to market. They are responsible for defining the final drug substance form (salt / polymorph / hydrate) for active pharmaceutical ingredients (API) and for defining the preferred physical attributes (particle shape / particle size / surface energy). They also lead the development of new scientific strategies within the group and mentor colleagues in the drug development process.

The School of Chemistry, Chemical Engineering and Biotechnology seeks a diverse and inclusive workforce and is committed to equality of opportunity. We welcome applications from all and recruit on the basis of merit, regardless of age, race, gender, religion, marital status and family responsibilities, or disability.

Company Description Join us and make YOUR mark on the World!Are you interested in joining some of the brightest talent in the world to strengthen the United States security?

As the Lecturer in Chemistry, you will take a leading role in establishing a sustainable research program that complements the current focal areas of the Discipline of Chemistry. These research areas include materials chemistry, organic and medicinal chemistry, computational chemistry, and surface chemistry.

The Scanlon Materials Theory Group (SMTG), led by Professor David O. Scanlon is joining the School of Chemistry in September 2023. We are seeking to recruit a Research Fellow II (Senior Research Fellow, Grade 8) in Computational Materials Chemistry to serve as a Group Leader in the SMTG. The research areas the group is actively researching in are transparent conducting oxides, photovoltaics, batteries, thermoelectrics, photocatalysis and inorganic phosphors.

The Institute for Neurodegenerative Diseases (IND) at the University of California, San Francisco (UCSF) is seeking a computational/theoretical chemist to join the IND’s drug discovery programs in Alzheimer’s disease, frontotemporal dementia, Parkinson’s disease, Creutzfeldt-Jakob disease and others. The director of the IND is Nobel Laureate Dr. Stanley Prusiner.

Requisition Id10532 Overview: We are seeking a Group Leader for the Advanced Computing for Chemistry and Materials group within the Science Engagement section in the National Center for Computational Sciences (NCCS).NCCS Provides state-of-the-art computational and data science infrastructure coupled with dedicated scientific and technical professionals tackling large-scale problems across a broad range of scientific domains for accelerating scientific discovery and engineering advances.

A doctoral degree, specializing in medicinal chemistry, computational chemistry with an emphasis on biologically active compounds, or a related field.

The Lead Data Scientist – Oligo Design will be a critical team member of Molecular AI and contribute to the research team's effort towards exploring and creating new technology and being a world leader in oligo drug design. The ideal candidate will have a deep knowledge and experience in both machine learning and RNA Biology (structure, stability, translation) and a high degree of proficiency in Python (scientific programming), machine learning libraries, bioinformatics tools, and cloud computing and be responsible for developing machine learning and complex analytical workflows to support the selection, design and optimization of siRNA sequences and siRNA formulations.

Requisition Id10532 Overview: We are seeking a Group Leader for the Advanced Computing for Chemistry and Materials group within the Science Engagement section in the National Center for Computational Sciences (NCCS).NCCS Provides state-of-the-art computational and data science infrastructure coupled with dedicated scientific and technical professionals tackling large-scale problems across a broad range of scientific domains for accelerating scientific discovery and engineering advances.

Requisition Id10595 Overview: Oak Ridge National Laboratory is the largest US Department of Energy science and energy laboratory conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security.Our capabilities span a broad range of scientific and engineering disciplines enabling the Laboratory to explore fundamental science challenges and to carry out the research needed to accelerate the delivery of solutions to the marketplace.

We are currently looking for PhD students in a wide variety of STEM fields — physics, computer science, AI, neuroscience, chemistry, cryptography, mathematics/statistics, biomedical engineering, aerospace engineering, geophysics, and more — to join our world-class team of engineers, scientists and technologists.

Our Simulation and Optimization (S&O) team is looking for an experienced computational chemist to join our Drug Discovery team. This person's responsibility will be to drive innovation by applying next generation methods to support drug discovery combining quantum, AI and physics-based methods like molecular dynamics and free energy perturbation. You will be joining a seasoned multi-disciplinary group including drug hunters with an excellent track record in drug discovery, computational chemists, physicists, AI experts, and software engineers. You are action orientated and extraordinary at getting things done. You communicate openly with your colleagues and you hate office politics.

The project focuses on identification of small molecule and peptide ligands of receptors using structure-based drug design. One of the main goals of the project is to develop strategies to screen libraries of several billion molecules by combining molecular docking and machine learning.