Computational Design and Modeling of Biomolecules

March 29–April 01, 2027 | La Fonda on the Plaza, Santa Fe, NM, United States
Scientific Organizers: Nicholas F. Polizzi, Torben Schiffner, and Amy E. Keating

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March 29–April 01, 2027 | La Fonda on the Plaza, Santa Fe, NM, United States

Scientific Organizers: Nicholas F. Polizzi, Torben Schiffner, and Amy E. Keating

Supported by the  Directors' Fund

***Meeting program subject to change.

Available Formats:     = Livestream   = In Person     = On Demand
Monday, March 29, 2027
Registration
4:00–8:00 PM
Welcome Mixer
6:00–8:00 PM
Tuesday, March 30, 2027
Breakfast
7:00–8:00 AM
Poster Setup
7:30–8:00 AM
Poster Viewing
7:45–5:00 PM
Welcome Remarks
8:00–8:10 AM
Keynote Address
8:10–9:00 AM
Frances H. Arnold †, California Institute of Technology
Directed Evolution Meets Machine Learning: Evolving Novel Catalysts with Predictive Design
Binders, Boltz, and Beyond
9:00–11:15 AM
Amy E. Keating, Massachusetts Institute of Technology
Predicting and Designing Protein–Peptide Interaction Specificity with Computational Models
John Chodera †, Memorial Sloan Kettering Cancer Center
Free-Energy Calculations at Scale: Predicting Affinity and Selectivity for Protein–Ligand Design
Gabriele Corso †, Boltz
Generative AI for Protein Design and Structure Prediction
Short Talk(s) Chosen from Abstracts
Coffee Break
9:30–9:50 AM
Panel Discussion: How to Write Papers for Biology & Comp Sci Audiences
11:15–12:15 PM
Lunch
12:15–1:15 PM
Posters
12:30–2:30 PM
Symposia Spotlight 1: Methods and Applications for Design of Complex Function
2:30–4:30 PM
Short Talks Chosen from Abstracts
Coffee Available
4:30–5:00 PM
An Ensemble Cast: A Protein in Many Acts
5:00–7:00 PM
Frank DiMaio †, University of Washington
Modeling Conformational Ensembles
Nicholas F. Polizzi, Dana-Farber Cancer Institute
De novo Design of a Single-Chain Small-Molecule Biosensor
Anum Glasgow †, Columbia University
Rewiring Allosteric Signaling in Cellular Proteins Using Rational and ML-Driven Approaches
Short Talk(s) Chosen from Abstracts
On Own for Dinner
7:00–8:00 PM
Wednesday, March 31, 2027
Breakfast
7:00–8:00 AM
Poster Setup
7:30–8:00 AM
Poster Viewing
7:45–5:00 PM
Data, Robots, and Models (O My)
8:00–11:00 AM
Philip Romero †, Duke University
Closed-Loop Protein Engineering: Integrating Robotics, ML, and Massive Sequence–Function Maps
Huimin Zhao †, University of Illinois at Urbana-Champaign
Scaling Up the Biofoundry: High-Throughput Genetic and Enzymatic Function Discovery with AI in the Loop
Polly Fordyce †, Stanford University
Evolutionary-Scale Enzymology Enables Exploration of a Rugged Catalytic Landscape
Chris Bahl †, AI Proteins, Inc.
Designing Therapeutic Miniproteins using Automation
Short Talk(s) Chosen from Abstracts
Coffee Break
9:00–9:20 AM
Lunch
11:00–12:00 PM
Posters
12:30–2:30 PM
Career Roundtable
3:00–4:30 PM
Coffee Available
4:30–5:00 PM
Active Sites and Ambitions: Designer Enzymes
5:00–7:00 PM
Brian Kuhlman †, University of North Carolina at Chapel Hill
The Folding- and Catalytic-Thermodynamics of Designed and Natural Enzymes
Lucy Jane Colwell †, University of Cambridge, Google DeepMind
Mechanistic Insights from Designed Enzymes: Toward Tailor-Made Catalysts for New Chemistry
Birte Höcker †, University of Bayreuth
Design of Lid Motifs in TIM Barrels for Catalysis
Ali Madani †, Profluent Bio
Design of Functional Gene Editors using PLMs
Short Talk(s) Chosen from Abstracts
On Own for Dinner
7:00–8:00 PM
Thursday, April 1, 2027
Breakfast
7:00–8:00 AM
Into the Wild Type: Designed Proteins Meet Biology
8:00–11:00 AM
Neil P King †, University of Washington
From Nanoparticles to Immunogens: Designing Functional Protein Assemblies for Biological Applications
Torben Schiffner, Scripps Research
Programmable Protein Scaffolds for Targeted Immune Modulation and Viral Neutralization
Glenna Foight †, Baylor College of Medicine
Synthetic Transcription Factors and Designer Proteins for Controlling Immune Cell Fate
Dek Woolfson †, University of Bristol
Assembling Membraneless Organelles from de novo Designed Proteins
Short Talk(s) Chosen from Abstracts
Coffee Break
9:00–9:20 AM
Workshop: Hands-On Code Tutorial: Fine-Tuning Models / RL
11:00–12:00 PM
Lunch
12:00–1:00 PM
Symposia Spotlight 2: Late-breaking research presentations selected from abstract submissions
2:30–4:30 PM
Short Talks Chosen from Abstracts
Coffee Available
4:30–5:00 PM
Weight, Weight, Don't Tell Me: Emerging Methods in Machine Learning
5:00–6:45 PM
Olexandr Isayev †, Carnegie Mellon University
AI Models for Chemistry at the Protein Interface: Learned Potentials for Reactivity and Binding
Noelia Ferruz †, Centre for Genomic Regulation
Toward the Explainability of Protein Language Models for Sequence Design
Jennifer Listgarten †, University of California, Berkeley
ProteinGuide: On-the-Fly Property Guidance for Protein Sequence Generative Models
Sergey Ovchinnikov †, MIT
Protein Diffusion Models as Statistical Potentials
Short Talk(s) Chosen from Abstracts
Meeting Wrap-Up: Outcomes and Future Directions
6:45–7:00 PM
On Own for Dinner
7:00–8:00 PM
Friday, April 2, 2027
Departure
12:00–11:59 PM

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