Keystone Symposia

Fairmont Banff Springs Floorplan

This meeting took place in 2023



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Computational Design and Modeling of Biomolecules - RESCHEDULED (RJ8)


Organizer(s) Timothy Whitehead, Nir London, Roberto A. Chica and Birte Höcker
March 14—17, 2023
Fairmont Banff Springs • Banff, AB Canada
Abstract Deadline: Dec 13, 2022
Scholarship Deadline: Dec 14, 2022
Discounted Registration Deadline: Jan 12, 2023

Sponsored by Astellas Pharma Inc., DCVC Bio, Genmab A/S, GlaxoSmithKline Biologicals and Novo Nordisk A/S

Summary of Meeting:
The scientific community is increasingly able to predict and design three-dimensional structures of proteins, RNA, macromolecular complexes, and biomolecule-ligand interactions with atomic accuracy. This biomolecular design and modeling interdisciplinary field has impacted fields as diverse as immunology, nanotechnology, biocatalysis, cellular and molecular engineering, drug delivery, vaccinology, and drug discovery. These disparate fields are underpinned by continuing advances in the design and predictive modeling of biomolecules and biomolecular assemblies. This conference is intended to bring the worldwide community of protein designers and modelers together to discuss recent advances. This program is topical as the field of protein design has moved from toy challenges to solving real-world problems. It is important to include computational design and modeling as its own conference as no other venue exists to bring the entire worldwide community to one location. In this watershed moment in the life of the field, this meeting can unite the global community of molecular modelers to build on these successes and push forward as a community to expand the field by diversifying our methods, approaches and ideas. In addition, the field of molecular modeling is naturally positioned to implement and integrate concepts and methodologies in deep learning and artificial intelligence. The huge recent spike in interest in such methods gives this conference a great opportunity to spearhead these developments.

View Scholarships/Awards
No registration fees are used to fund entertainment or alcohol at this conference

Conference Program    Print  |   View meeting in 12 hr (am/pm) time


The meeting will begin on Tuesday, March 14 with registration from 16:00 to 20:00 and a welcome mixer from 18:00 to 20:00. Conference events conclude on Friday, March 17 with a closing plenary session from 17:00 to 19:30, followed by a social hour. We recommend return travel on Saturday, March 18 in order to fully experience the meeting.

TUESDAY, MARCH 14

16:00—20:00
Arrival and Registration (4pm Start)

Mt Stephen Hall
18:00—20:00
Welcome Mixer
No registration fees are used to fund alcohol served at this function.

Mt Stephen Hall

WEDNESDAY, MARCH 15

07:00—08:00
Breakfast

Van Horne B/C
08:00—09:00
Welcome and Keynote Address (8am Start)

Van Horne A
* Timothy Whitehead, University of Colorado Boulder, USA

David Baker, University of Washington, USA
Remote Presentation: De novo Design of Function

09:00—11:15
Computational de novo Design of Biomolecules (9am Start)

Van Horne A
* Bruno Emanuel Correia, École Polytechnique Fédérale de Lausanne, Switzerland

Possu Huang, Stanford University, USA
Deep Generative Design of Epitope-Specific Binding Proteins by Latent Conformation Optimization

Coffee Break

William F. DeGrado, University of California, San Francisco, USA
de novo Design of Binding Proteins and Catalysts

Tanja Kortemme, University of California, San Francisco, USA
Computational Design of New Molecular Geometries and Ligand-Controlled Functions

Huong Tran Kratochvil, University of North Carolina at Chapel Hill, USA
Short Talk: De Novo Designed Proton Channels Define the Roles of Transient Water Wires in Proton Conduction

11:15—12:15
Workshop 1: The Future of Rosetta (11:15am Start)
The Rosetta Commons was formed 20 years ago with the goal of seamless collaboration on scientific projects and the development of the Rosetta software across many non-commercial institutions. In the intervening years, the performance and reliability of the Rosetta software for biomolecular modeling and design have dramatically improved, which has made us leaders in the field and driven growth in our annual licensing revenue. Our unique and compelling science has continually attracted new talent to our community, which has grown tremendously. Rosetta has grown into a mature piece of software encompassing around 3.1 million lines of code, being developed and refined by the about 100 participating labs worldwide. However, given the significant growth and entry of new players and technologies in our field, an update to our strategy and operational structure is crucial to most efficiently realize the full potential of biomolecular structure prediction and design technologies within the Rosetta Commons for years to come. This session introduces the ongoing work to reform the Rosetta community in terms of governance structure, strategic goals that cover both the technical and community aspects, membership, licensing, and their impact on the field of biomolecular modeling at large.

Van Horne A
* Jeffrey J. Gray, Johns Hopkins University, USA

Neil P. King, University of Washington, USA

Julia Koehler Leman, Flatiron Institute, Simons Foundation, USA

Ashley Vater, University of California, Davis, USA

Brian Weitzner, Outpace Bio, USA

11:15—17:00
On Own for Lunch

11:15—13:00
Poster Setup

Van Horne B/C
13:00—22:00
Poster Viewing

Van Horne B/C
14:30—16:30
Workshop 2 (2:30pm Start)

Van Horne A
* Gabriel J. Rocklin, Northwestern University, USA

Helen E. Eisenach, University of Washington, USA
Designing Symmetric Oligomers and Nanoscale Assemblies with RoseTTAFold Diffusion

Byung-Ha Oh, KAIST, South Korea
Computational Design of a Broadly and Potently Neutralizing Antibody against SARS-CoV-2

Kevin Drew, University of Illinois at Chicago, USA
25,000 High throughput Proteomics Experiments Direct the Modeling of Large Macromolecular Protein Complexes

* Zachary T. Baumer, University of Colorado Boulder, USA
Design of Ligand-Responsive RNA Polymerases

Lee Schnaider, UCSF, USA
Incorporating Proximity-enhanced Ligation into Functional Protein Complex Design

Pranam Chatterjee, Duke University, USA
Design of Peptide-Guided Protein Degraders with Structure-Agnostic Language Models

16:30—17:00
Coffee Available

Van Horne Foyer
17:00—19:00
Repurposing Proteins for Binding, Catalysis, and Sensing (5pm Start)

Van Horne A
* Joanna Slusky, University of Kansas, USA

Birte Höcker, University of Bayreuth, Germany
Evolution and Design of Proteins

Dek Woolfson, University of Bristol, UK
Exploring the Dark Space of Protein Structure and Function through Rational and Computational Design

Neil P. King, University of Washington, USA
Computational Design of Self-Assembling Protein Nanomaterials for Medical Applications

Timothy Whitehead, University of Colorado Boulder, USA
One-Shot Design and Engineering of Portable in vitro and in vivo Biosensors

19:00—20:00
Social Hour with Lite Bites
No registration fees are used to fund alcohol served at this function.

Van Horne B/C
19:30—22:00
Poster Session 1 (7:30pm Start)

Van Horne B/C

THURSDAY, MARCH 16

07:00—08:00
Breakfast

Van Horne B/C
08:00—09:30
Energy Landscape Search for Affinity and Specificity (8am Start)

Van Horne A
* Anum Glasgow, Columbia University, USA

Amy E. Keating, Massachusetts Institute of Technology, USA
Structure Spaces and Energy Functions for Protein Design

Roberto A. Chica, University of Ottawa, Canada
Harnessing Conformational Flexibility to Design more Efficient and Selective Enzymes

Philip Leung, Institute for Protein Design, USA
Short Talk: Multistate Design of Protein Hinge Switches

Stephanie Wankowicz, University of California San Francisco, USA
Short Talk: Water Molecule Likelihood Map for Protein and Ligand Structural Models

Coffee Break

11:00—17:00
On Own for Lunch

11:00—13:00
Poster Setup

Van Horne B/C
13:00—22:00
Poster Viewing

Van Horne B/C
15:00—16:30
Career Roundtable (3pm Start)

Van Horne A
Tanja Kortemme, University of California, San Francisco, USA

Xavier Barril, University of Barcelona, Spain

Brian Weitzner, Outpace Bio, USA

Huong Tran Kratochvil, University of North Carolina at Chapel Hill, USA

Daniel Smith, FL83, USA

16:30—17:00
Coffee Available

Van Horne Foyer
17:00—19:00
Machine Learning for Design of Enhanced Therapeutics and Biocatalysts (5pm Start)

Van Horne A
* Nicholas F. Polizzi, Dana-Farber Cancer Institute, USA

Joanna Slusky, University of Kansas, USA
Machine Learning for Accelerating the Design of Metalloenzymes

Bruno Emanuel Correia, École Polytechnique Fédérale de Lausanne, Switzerland
Deciphering Interaction Fingerprints from Protein Molecular Surfaces using Geometric Deep Learning

Arvind Sivasubramanian, Adimab LLC, USA
Engineered Fab Constant Domains for IgG-like Bispecifics

19:00—20:00
Social Hour with Lite Bites
No registration fees are used to fund alcohol served at this function.

Van Horne B/C
19:30—22:00
Poster Session 2 (7:30pm Start)

Van Horne B/C

FRIDAY, MARCH 17

07:00—08:00
Breakfast

Van Horne B/C
08:00—11:00
Early Career Protein Designers (8am Start)

Van Horne A
* Dek Woolfson, University of Bristol, UK

Anum Glasgow, Columbia University, USA
Evolutionarily Conserved Conformational Changes Functionalize an Ancient Protein Fold

Anastassia A. Vorobieva, VIB-VUB, Belgium
De Novo Design of Pore-Forming Transmembrane beta-barrels

Coffee Break

Nicholas F. Polizzi, Dana-Farber Cancer Institute, USA
A COMBS Approach for Designing Functional Proteins

Eva-Maria Strauch, University of Georgia, USA
Short Talk: Protein Design versus Pathogen

Gabriel J. Rocklin, Northwestern University, USA
Short Talk: Mega-scale Experimental Analysis of Protein Folding Stability in Biology and Protein Design

11:00—12:00
Roundtable Discussion: The Future of Foldit
Roundtable Discussion

Van Horne A
11:00—17:00
On Own for Lunch

16:30—17:00
Coffee Available

Van Horne Foyer
17:00—19:15
Prediction and Design of Protein Ligand Interactions (5pm Start)

Van Horne A
* Possu Huang, Stanford University, USA

Brian K. Shoichet, University of California, San Francisco, USA
Ultra-Large Library Docking for Discovering New Chemotypes

Nir London, Weizmann Institute of Science, Israel
Designing Covalent Inhibitors

Xavier Barril, University of Barcelona, Spain
High-Throughput Virtual Dissociation Experiments: Application to Fragment Screening

Ora Furman, Hebrew University, Hadassah Medical School, Israel
Peptides as Far as the Eye Can See

Jianwei Che, Dana-Farber Cancer Institute, USA
Short Talk: Computational Modeling Guided Degrader Design

19:15—19:30
Meeting Wrap-Up: Outcomes and Future Directions (Organizers) (7:15pm Start)

Van Horne A
19:30—20:30
Social Hour with Lite Bites
No registration fees are used to fund alcohol served at this function.

Van Horne B/C

SATURDAY, MARCH 18

 
Departure


*Session Chair †Invited, not yet responded.



Keystone Symposia thanks our Sponsors(s) for generously supporting this meeting:

DCVC Bio Genmab A/S
GlaxoSmithKline Biologicals Novo Nordisk A/S

We appreciate the organizations that provide Keystone Symposia with additional support, such as marketing and advertising:


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Special thanks to the following for their support of Keystone Symposia initiatives to increase participation at this meeting by scientists from underrepresented backgrounds:


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Phone:+1 970-262-2690

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Phone:+1 970-262-1179