<br/>Ever since it was first applied to drug discovery, molecular modeling has been considered to be an expert skillset reserved for computational chemists, structural biologists, and particularly motivated medicinal chemists. This has led to a bottleneck of waiting for routine modeling results, as well as the development of new models for deployment to assist design decisions. The root of this issue has historically been both educational and technological. The barrier to entry for molecular modeling has traditionally been high with there being very few avenues through which one can become knowledgable with the fundamental concepts and comfortable with software packages. Additionally, most modeling technologies and workflows were designed with experts in mind, effectively restricting impactful access to a select few.<br/><br/>We will introduce how Schrödinger uses education and new technologies, such as LiveDesign and the Ligand Designer, to further democratize molecular modeling and make it more approachable to the medicinal chemistry community. Through a first-of-its-kind online course, Introduction to Molecular Modeling, non-computational chemistry experts can learn about how computational tools can fit into the drug discovery pipeline, virtual screening concepts, modeling results analysis, and design strategies. This course was created with a professional in mind, being completely asynchronous and self-paced. We aim to help medicinal chemists work more effectively with a computational modeling team as well as be able to use models to inform their own research.

Design thinking: Large-scale support and implementation of 3D molecular modeling to guide research

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.