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Computer Aided Drug Design (GRC)—Exploring the Synergy of Machine Learning and Physics-Based Computational Chemistry to Accelerate Drug Discovery


  • University of Southern Maine, Portland, ME, USA (map)

The Computer Aided Drug Design Gordon Research Conference (GRC) is a premier, international scientific conference focused on advancing the frontiers of science through the presentation of cutting-edge and unpublished research, prioritizing time for discussion after each talk and fostering informal interactions among scientists of all career stages. The conference program includes a diverse range of speakers and discussion leaders from institutions and organizations worldwide, concentrating on the latest developments in the field. The conference is five days long and held in a remote location to increase the sense of camaraderie and create scientific communities, with lasting collaborations and friendships. In addition to premier talks, the conference has designated time for poster sessions from individuals of all career stages, and afternoon free time and communal meals allow for informal networking opportunities with leaders in the field.

Recent advancements in both Machine Learning (ML) and physics-based computational chemistry and their combination hold great promise in opening new avenues for faster, more efficient drug design. The 2025 GRC CADD will explore new computational approaches across both ML and physics-based computational chemistry that can enhance our understanding of molecular interactions, drive the accumulation of experimental data, and accelerate the design of novel molecules.

New modalities are increasingly becoming mainstream as the field looks to drug biological complex targets with strong biological rationales. The conference will include a broad view of computational research and approaches, focusing both on methodology and application, in pursuit of molecular design and experimentation. The conference will discuss advancements in the use of computation that leverages both physics-based and ML strategies, as well as applications that interface with key experimental techniques and newer modalities. The conference prioritizes the presentation of cutting-edge, unpublished, research while creating an open climate for in-depth discussion and informal interaction between diverse scientists at all career stages. We encourage all conference applicants to consider submitting a poster abstract for consideration.

Applications for this meeting must be submitted by June 15, 2025. Please apply early, as some meetings become oversubscribed (full) before this deadline. If the meeting is oversubscribed, it will be stated here. Note: Applications for oversubscribed meetings will only be considered by the conference chair if more seats become available due to cancellations.

The conference will consist of nine sessions. The conference chair is currently developing their preliminary program, which will include the names of the invited speakers and discussion leaders for each of these sessions. The preliminary program will be available by October 16, 2024. Please the event website for the most up-to-date information.

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July 6

Nucleosides, Nucleotides and Oligonucleotides (GRC)—Challenges at the Interface of Structure, Function and Chemistry of Nucleosides and Nucleic Acids

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July 27

Protein Engineering (GRC)