Computational Design and Modeling of Biomolecules (C5)
March 29-April 1, 2027 | La Fonda on the Plaza, Santa Fe, NM, United States
Nicholas F. Polizzi, Torben Schiffner and Amy E. Keating
| 4:00–8:00 PM |
Registration |
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| 6:00–8:00 PM |
Welcome Mixer |
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| 8:00–8:10 AM |
Welcome Remarks |
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| 8:10–9:00 AM |
Keynote Address |
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Frances H. Arnold †, California Institute of Technology
Directed Evolution Meets Machine Learning: Evolving Novel Catalysts with Predictive Design |
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| 9:00–11:15 AM |
Binders, Boltz, and Beyond |
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Amy E. Keating, Massachusetts Institute of Technology
Predicting and Designing Protein–Peptide Interaction Specificity with Computational Models |
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John Chodera †, Memorial Sloan Kettering Cancer Center
Free-Energy Calculations at Scale: Predicting Affinity and Selectivity for Protein–Ligand Design |
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Gabriele Corso †, Boltz
Generative AI for Protein Design and Structure Prediction |
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Short Talk(s) Chosen from Abstracts
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| 9:30–9:50 AM |
Coffee Break |
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| 11:15–12:15 PM |
Panel Discussion: How to Write Papers for Biology & Comp Sci Audiences |
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| 12:15–1:00 PM |
Poster Setup |
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| 12:15–5:00 PM |
On Own for Lunch |
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| 1:00–10:00 PM |
Poster Viewing |
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| 2:30–4:30 PM |
Symposia Spotlight 1: Methods and Applications for Design of Complex Function |
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Short Talks Chosen from Abstracts
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| 4:30–5:00 PM |
Coffee Available |
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| 5:00–7:00 PM |
An Ensemble Cast: A Protein in Many Acts |
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Frank DiMaio †, University of Washington
Modeling Conformational Ensembles |
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Nicholas F. Polizzi, Dana-Farber Cancer Institute
De novo Design of a Single-Chain Small-Molecule Biosensor |
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Anum Glasgow †, Columbia University
Rewiring Allosteric Signaling in Cellular Proteins Using Rational and ML-Driven Approaches |
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Short Talk(s) Chosen from Abstracts
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| 7:00–8:00 PM |
Social Hour with Dinner |
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Wednesday, March 31, 2027
| 8:00–11:00 AM |
Data, Robots, and Models (O My) |
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Philip Romero †, Duke University
Closed-Loop Protein Engineering: Integrating Robotics, ML, and Massive Sequence–Function Maps |
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Huimin Zhao †, University of Illinois at Urbana-Champaign
Scaling Up the Biofoundry: High-Throughput Genetic and Enzymatic Function Discovery with AI in the Loop |
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Polly Fordyce †, Stanford University
Evolutionary-Scale Enzymology Enables Exploration of a Rugged Catalytic Landscape |
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Chris Bahl †, AI Proteins, Inc.
Designing Therapeutic Miniproteins using Automation |
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Short Talk(s) Chosen from Abstracts
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| 9:00–9:20 AM |
Coffee Break |
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| 11:00–1:00 PM |
Poster Setup |
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| 11:00–5:00 PM |
On Own for Lunch |
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| 1:00–10:00 PM |
Poster Viewing |
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| 3:00–4:30 PM |
Career Roundtable |
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| 4:30–5:00 PM |
Coffee Available |
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| 5:00–7:00 PM |
Active Sites and Ambitions: Designer Enzymes |
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Brian Kuhlman †, University of North Carolina at Chapel Hill
The Folding- and Catalytic-Thermodynamics of Designed and Natural Enzymes |
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Lucy Jane Colwell †, University of Cambridge, Google DeepMind
Mechanistic Insights from Designed Enzymes: Toward Tailor-Made Catalysts for New Chemistry |
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Birte Höcker †, University of Bayreuth
Design of Lid Motifs in TIM Barrels for Catalysis |
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Ali Madani †, Profluent Bio
Design of Functional Gene Editors using PLMs |
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Short Talk(s) Chosen from Abstracts
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| 7:00–8:00 PM |
Social Hour with Dinner |
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| 8:00–11:00 AM |
Into the Wild Type: Designed Proteins Meet Biology |
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Neil P King †, University of Washington
From Nanoparticles to Immunogens: Designing Functional Protein Assemblies for Biological Applications |
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Torben Schiffner, Scripps Research
Programmable Protein Scaffolds for Targeted Immune Modulation and Viral Neutralization |
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Glenna Foight †, Baylor College of Medicine
Synthetic Transcription Factors and Designer Proteins for Controlling Immune Cell Fate |
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Dek Woolfson †, University of Bristol
Assembling Membraneless Organelles from de novo Designed Proteins |
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Short Talk(s) Chosen from Abstracts
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| 9:00–9:20 AM |
Coffee Break |
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| 11:00–12:00 PM |
Workshop: Hands-On Code Tutorial: Fine-Tuning Models / RL |
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| 12:00–5:00 PM |
On Own for Lunch |
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| 2:30–4:30 PM |
Symposia Spotlight 2: Late-breaking research presentations selected from abstract submissions |
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Short Talks Chosen from Abstracts
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| 4:30–5:00 PM |
Coffee Available |
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| 5:00–6:45 PM |
Weight, Weight, Don't Tell Me: Emerging Methods in Machine Learning |
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Olexandr Isayev †, Carnegie Mellon University
AI Models for Chemistry at the Protein Interface: Learned Potentials for Reactivity and Binding |
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Noelia Ferruz †, Centre for Genomic Regulation
Toward the Explainability of Protein Language Models for Sequence Design |
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Jennifer Listgarten †, University of California, Berkeley
ProteinGuide: On-the-Fly Property Guidance for Protein Sequence Generative Models |
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Sergey Ovchinnikov †, MIT
Protein Diffusion Models as Statistical Potentials |
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Short Talk(s) Chosen from Abstracts
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| 6:45–7:00 PM |
Meeting Wrap-Up: Outcomes and Future Directions |
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| 7:00–8:00 PM |
Social Hour with Dinner |
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| 8:00–11:00 PM |
Entertainment |
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