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
Nicholas F. Polizzi, PhD
Dana-Farber Cancer Institute
Nicholas F. Polizzi, Ph.D., is an Assistant Professor of Biological Chemistry and Molecular Pharmacology at Harvard Medical School and an Independent Investigator in the Department of Cancer Biology at Dana-Farber Cancer Institute. His research focuses on de novo protein design, with the goal of understanding and programming the molecular rules governing protein-ligand binding to create proteins that specifically recognize small molecules. He developed the computational protein design method COMBS, which enabled the design of proteins that bind tightly to targeted small-molecule drugs without library selection. He received his Ph.D. in Biochemistry from Duke University and conducted postdoctoral training at the University of California, San Francisco.
Torben Schiffner
The Wistar Institute
Torben Schiffner, Ph.D., is an Assistant Professor at the Vaccine & Immunotherapy Center at The Wistar Institute. His research focuses on developing vaccines against HIV and other viruses of high antigenic diversity, combining computational protein design, directed evolution, and high-throughput screening to engineer immunogens capable of inducing broadly neutralizing antibodies. He received his Ph.D. from the University of Oxford and is a recipient of the Alexander von Humboldt Foundation Sofja Kovalevskaja Award and the Young Investigator Award from the Consortium for HIV/AIDS Vaccine Development.
Amy E. Keating, PhD
Massachusetts Institute of Technology
Amy E. Keating, Ph.D., is the Jay A. Stein (1968) Professor of Biology and Professor of Biological Engineering at MIT, where she also serves as Head of the Department of Biology. Her research focuses on understanding how protein-protein interaction specificity is encoded in protein sequences and structures, integrating computational design, structural modeling, and high-throughput biochemical experiments. Her work on Bcl-2 apoptosis-regulating proteins and coiled-coil proteins has generated peptide inhibitors with therapeutic potential in cancer. She received her Ph.D. from the University of California, Los Angeles and conducted postdoctoral training as a Helen Hay Whitney Fellow at the Whitehead Institute and MIT.
Available Formats:
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Livestream
In Person
On Demand
***Meeting program subject to change.
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Registration Options
Monday, March 29, 2027
Fundraising
Registration
4:00–8:00 PM
Mezzanine
Welcome Mixer
6:00–8:00 PM
La Terraza & Garden Terrace
Tuesday, March 30, 2027
Breakfast
7:00–8:00 AM
La Terraza & Garden Terrace
Poster Setup
7:30–8:00 AM
New Mexico & Portal
Poster Viewing
7:45–5:00 PM
New Mexico & Portal
Welcome Remarks
8:00–8:10 AM
Lumpkins Ballroom
Keynote Address
8:10–9:00 AM
Lumpkins Ballroom
Tanja Kortemme, University of California, San Francisco
AI-Guided Design of Programmable Protein Dynamics and Cellular Behaviors
AI-Guided Design of Programmable Protein Dynamics and Cellular Behaviors
Binders, Boltz, and Beyond
9:00–11:15 AM
Lumpkins Ballroom
Amy E. Keating, Massachusetts Institute of Technology
Predicting and Designing Protein–Peptide Interaction Specificity with Computational Models
Predicting and Designing Protein–Peptide Interaction Specificity with Computational Models
Antonia Mey †, University of Edinburgh
Talk Title to be Announced
Talk Title to be Announced
Gabriele Corso, Boltz
Boltz: Towards Accurate Biomolecular Modeling and Design
Boltz: Towards Accurate Biomolecular Modeling and Design
Short Talk(s) Chosen from Abstracts
Coffee Break
9:30–9:50 AM
Mezzanine
Panel Discussion: How to Write Papers for Biology & Comp Sci Audiences
11:25–12:25 PM
Lumpkins Ballroom
Lunch
12:25–1:25 PM
La Terraza & Garden Terrace
Poster Session 1
12:30–2:30 PM
New Mexico & Portal
Symposia Spotlight 1: Methods and Applications for Design of Complex Function
2:30–4:30 PM
Lumpkins Ballroom
Short Talks Chosen from Abstracts
Coffee Available
4:30–5:00 PM
Mezzanine
An Ensemble Cast: A Protein in Many Acts
5:00–7:00 PM
Lumpkins Ballroom
Frank DiMaio, University of Washington
Modeling Conformational Ensembles
Modeling Conformational Ensembles
Nicholas F. Polizzi, Dana-Farber Cancer Institute
De novo Design of a Single-Chain Small-Molecule Biosensor
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
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
La Terraza & Garden Terrace
Poster Setup
7:30–8:00 AM
New Mexico & Portal
Poster Viewing
7:45–5:00 PM
New Mexico & Portal
Data, Robots, and Models (O My)
8:00–11:00 AM
Lumpkins Ballroom
Philip Romero, Duke University
Closed-Loop Protein Engineering: Integrating Robotics, ML, and Massive Sequence–Function Maps
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
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
Evolutionary-Scale Enzymology Enables Exploration of a Rugged Catalytic Landscape
Chris Bahl, AI Proteins, Inc.
de novo Design of Miniprotein Therapeutics
de novo Design of Miniprotein Therapeutics
Short Talk(s) Chosen from Abstracts
Coffee Break
9:00–9:20 AM
Mezzanine
Award Recipient Acknowledgement
9:20–9:25 AM
Lumpkins Ballroom
Lunch
11:00–12:00 PM
La Terraza & Garden Terrace
Poster Session 2
12:30–2:30 PM
New Mexico & Portal
Career Roundtable
3:00–4:30 PM
Lumpkins Ballroom
Coffee Available
4:30–5:00 PM
Mezzanine
Active Sites and Ambitions: Designer Enzymes
5:00–7:00 PM
Lumpkins Ballroom
Brian Kuhlman, University of North Carolina at Chapel Hill
De novo Protein Design with Multi-Objective Fitness Functions
De novo Protein Design with Multi-Objective Fitness Functions
Alena Khmelinskaia, Ludwig-Maximilians-Universität München
Designed to Assemble—and to Know When
Designed to Assemble—and to Know When
Ali Madani, Profluent Bio
Design of Functional Gene Editors using PLMs
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
La Terraza & Garden Terrace
Into the Wild Type: Designed Proteins Meet Biology
8:00–11:00 AM
Lumpkins Ballroom
Neil P King, University of Washington
From Nanoparticles to Immunogens: Designing Functional Protein Assemblies for Biological Applications
From Nanoparticles to Immunogens: Designing Functional Protein Assemblies for Biological Applications
Torben Schiffner, The Wistar Institute
Programmable Protein Scaffolds for Targeted Immune Modulation and Viral Neutralization
Programmable Protein Scaffolds for Targeted Immune Modulation and Viral Neutralization
Glenna Foight, Baylor College of Medicine
Dynamic Transcription Factors and Designer Proteins for Controlling Immune Cell Fate
Dynamic Transcription Factors and Designer Proteins for Controlling Immune Cell Fate
Dek Woolfson, University of Bristol, and Center for Protein Design, University of Copenhagen
Integrating Rational and Computational Protein Design for Applications in Cell Biology
Integrating Rational and Computational Protein Design for Applications in Cell Biology
Short Talk(s) Chosen from Abstracts
Coffee Break
9:00–9:20 AM
Mezzanine
Workshop: Hands-On Code Tutorial: Fine-Tuning Models / RL
11:10–12:10 PM
Lumpkins Ballroom
Lunch
12:10–1:10 PM
La Terraza & Garden Terrace
Symposia Spotlight 2
2:30–4:30 PM
Lumpkins Ballroom
Short Talks Chosen from Abstracts
Coffee Available
4:30–5:00 PM
Mezzanine
Weight, Weight, Don't Tell Me: Emerging Methods in Machine Learning
5:00–6:45 PM
Lumpkins Ballroom
Olexandr Isayev, Carnegie Mellon University
AI Models for Chemistry at the Protein Interface: Learned Potentials for Reactivity and Binding
AI Models for Chemistry at the Protein Interface: Learned Potentials for Reactivity and Binding
Jennifer Listgarten, University of California, Berkeley
ProteinGuide: On-the-Fly Property Guidance for Protein Sequence Generative Models
ProteinGuide: On-the-Fly Property Guidance for Protein Sequence Generative Models
Emine Kucukbenli, Nvidia Corporation
Atomistic Modelling at the Speed of Light
Atomistic Modelling at the Speed of Light
Short Talk(s) Chosen from Abstracts
Meeting Wrap-Up: Outcomes and Future Directions
6:45–7:00 PM
Lumpkins Ballroom
On Own for Dinner
7:00–8:00 PM
Friday, April 2, 2027
Departure
12:00–11:59 PM
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