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
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
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
WEDNESDAY, MARCH 15
THURSDAY, MARCH 16
FRIDAY, MARCH 17
SATURDAY, MARCH 18
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
18:00—20:00
Welcome Mixer
No registration fees are used to fund alcohol served at this function.
08:00—09:00
Welcome and Keynote Address (8am Start)
*
Timothy Whitehead,
University of Colorado Boulder, USA
David Baker,
University of Washington, USA
Remote Presentation: De novo Design of Function
Remote Presentation: De novo Design of Function
09:00—11:15
Computational de novo Design of Biomolecules (9am Start)
*
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
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
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
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
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.
*
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
14:30—16:30
Workshop 2 (2:30pm Start)
*
Gabriel J. Rocklin,
Northwestern University, USA
Helen E. Eisenach,
University of Washington, USA
Designing Symmetric Oligomers and Nanoscale Assemblies with RoseTTAFold Diffusion
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
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
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
Design of Ligand-Responsive RNA Polymerases
Lee Schnaider,
UCSF, USA
Incorporating Proximity-enhanced Ligation into Functional Protein Complex Design
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
Design of Peptide-Guided Protein Degraders with Structure-Agnostic Language Models
17:00—19:00
Repurposing Proteins for Binding, Catalysis, and Sensing (5pm Start)
*
Joanna Slusky,
University of Kansas, USA
Birte Höcker,
University of Bayreuth, Germany
Evolution and Design of Proteins
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
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
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
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.
08:00—09:30
Energy Landscape Search for Affinity and Specificity (8am Start)
*
Anum Glasgow,
Columbia University, USA
Amy E. Keating,
Massachusetts Institute of Technology, USA
Structure Spaces and Energy Functions for Protein Design
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
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
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
Short Talk: Water Molecule Likelihood Map for Protein and Ligand Structural Models
Coffee Break
15:00—16:30
Career Roundtable (3pm Start)
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
17:00—19:00
Machine Learning for Design of Enhanced Therapeutics and Biocatalysts (5pm Start)
*
Nicholas F. Polizzi,
Dana-Farber Cancer Institute, USA
Joanna Slusky,
University of Kansas, USA
Machine Learning for Accelerating the Design of Metalloenzymes
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
Deciphering Interaction Fingerprints from Protein Molecular Surfaces using Geometric Deep Learning
Arvind Sivasubramanian,
Adimab LLC, USA
Engineered Fab Constant Domains for IgG-like Bispecifics
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.
08:00—11:00
Early Career Protein Designers (8am Start)
*
Dek Woolfson,
University of Bristol, UK
Anum Glasgow,
Columbia University, USA
Evolutionarily Conserved Conformational Changes Functionalize an Ancient Protein Fold
Evolutionarily Conserved Conformational Changes Functionalize an Ancient Protein Fold
Coffee Break
Nicholas F. Polizzi,
Dana-Farber Cancer Institute, USA
A COMBS Approach for Designing Functional Proteins
A COMBS Approach for Designing Functional Proteins
Eva-Maria Strauch,
University of Georgia, USA
Short Talk: Protein Design versus Pathogen
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
Short Talk: Mega-scale Experimental Analysis of Protein Folding Stability in Biology and Protein Design
17:00—19:15
Prediction and Design of Protein Ligand Interactions (5pm Start)
*
Possu Huang,
Stanford University, USA
Brian K. Shoichet,
University of California, San Francisco, USA
Ultra-Large Library Docking for Discovering New Chemotypes
Ultra-Large Library Docking for Discovering New Chemotypes
Nir London,
Weizmann Institute of Science, Israel
Designing Covalent Inhibitors
Designing Covalent Inhibitors
Xavier Barril,
University of Barcelona, Spain
High-Throughput Virtual Dissociation Experiments: Application to Fragment Screening
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
Peptides as Far as the Eye Can See
Jianwei Che,
Dana-Farber Cancer Institute, USA
Short Talk: Computational Modeling Guided Degrader Design
Short Talk: Computational Modeling Guided Degrader Design
19:30—20:30
Social Hour with Lite Bites
No registration fees are used to fund alcohol served at this function.
*Session Chair †Invited, not yet responded.
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