Programme

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Tuesday, May 10

08:00 – 10:00 Registration
09:00 – 10:00 Workshop introduction
10:00 – 10:30 Coffee break
10:30 – 13:00 Workshop: Protein design
13:00 – 14:00 Lunch
14:00 – 16:30 Workshop: Ligand docking

 

Wednesday, May 11

08:00 – 09:30 Registration
08:30 – 09:00 Conference opening
09:00 – 12:30 Session I
12:30 – 14:00 Lunch
14:00 – 15:30 Flash talks
16:00 – 17:30 Session II
17:30 – 19:00 Poster session
19:00-onward Networking

 

Thursday, May 12

09:00 – 12:30 Session III
12:30 – 14:00 Lunch
14:00 – 17:00 Session IV
17:00 – 18:00 Keynote Speaker
18:00-19:30 Poster session
19:30-onward Networking

 

Friday, May 13

09:00 – 12:30 Session V
12:30 – 14:00 Lunch
14:00 – 15:00 Prospects for Rosetta
15:00 – 17:30 Session VI
17:30 – 18:00 Final remarks
18:00-20:00 Gala dinner

 

Conference program is writen using local conference time GMT+2. To check your local time use table below or https://everytimezone.com/ website.

 

Poland time GMT+2 Seattle time GMT-7 New York time GMT-4
May 10 8 AM – 17 PM May 9, 11 PM – 8 AM 2 AM – 11 AM
May 11 8 AM – 19 PM May 9, 11 PM – 10 AM 2 AM – 13 AM
May 12 9 AM – 18 PM May 9, 12 PM – 9 AM 3 AM – 12 AM
May 13 9 AM – 17 PM May 9, 12 PM – 8 AM 3 AM – 11 AM

Detailed program

Wednesday, May 11

 

08:00 – 09:30 Registration 
08:30 – 09:00 Conference opening
9:00 – 10:30 Session I Structure & Dynamics

Steffen Lindert, Computational Protein Structure Prediction from Mass Spectrometry Data
Annemarie Danielsson, Molecular Dynamics-based descriptors of 3-O-Sulfated Heparan Sulfate as Contributors of Protein Binding Specificity
Angelika Janaszkiewicz, Organic Anion Transporter 1: Insights into function and structure by means of Molecular Dynamic Simulations

 
10:30 – 11:00 Coffee break
11:00 – 12:30 Session I Structure & Dynamics

Georg Künze, Disclosing the binding properties of pet tracers targeting tau fibrils by computational simulations
Ameya Harmalkar, Induced fit with replica exchange improves protein complex structure prediction
Jens Meiler, Engineering antibodies and vaccines with Rosetta

 
12:30 – 14:00 Lunch 
14:00 – 15:30 Flash talks
15:30-16:00 Coffee break
16:00-17:30 Session II Protein design

Anthony Marchand, De novo design of protein interactions with learned surface fingerprints
Ingemar André, Shape-based protein design
Ajasja Ljubetič, Making a completely de-novo designed random protein walker/roller

 
17:30-19:00 Poster session I
19:00-onward Networking

 

Thursday, May 12

 

9:00 – 10:30 Session III Structure and modeling

Online flash talks 
Justyna Kryś, Hydrogen Bond Potential in corse-grained force field
Marta Kulik, Multi-Scale Flexible Fitting of Proteins to Cryo-EM Density Maps

 
10:30 – 11:00 Coffee break
11:00 – 12:30 Session III Structure and modeling

 

Bruno Correia, Reading and Writing Protein Function Using Multi-dimensional Surface Representations
Jonathan Heddle, More than Proteins: Programming Proteins Using Non-Protein Components
Joanna Slusky, Can we determine which enzyme designs will be catalytic without experimentation?

 
12:30 – 14:00 Lunch 
14:00 – 15:30

Session IV Peptides
Ora Schueler-Furman, Peptide binding as monomer complementation – new approaches for blind global high-resolution peptide docking
Alisa Khramushin, Matching protein surface structural patches for peptide docking
Parisa Hosseinzadeh, Understanding the peptide folding landscape using computational methods

15:30-16:00 Coffee break
16:00-17:00 Session IV Online session

Khajamohiddin Syed, Fungal genome mining for a super cytochrome P450 enzyme for higher higher-molecular-weight polycyclic aromatic hydrocarbons degradation
Patrick Barth, Computational design of signaling membrane receptors

 
17:00-18:00 Keynote Speaker: David Baker, Protein design using deep learning
18:00-19:30 Poster session II
19:30-onward Networking

 

Friday, May 13

 

9:00 – 10:30 Session V Applications of protein engineering 

Possu Huang, Epitope-specific antibody design by a deep learning generative model
Margrethe Gaardløs, Cyclic peptide approach to model protein-glycosaminoglycan interactions
John Karanicolas, Using Rosetta to find small molecules that rescue destabilized protein mutants

 
10:30 – 11:00 Coffee break
11:00 – 12:30 Session V Applications of protein engineering 

Morgan Nance, Protein Modeling and Design for Enzymatic Conversion of Universal Blood
Florian Praetorius, De novo design of dynamic proteins
Alena Khmelinskaia, Expanding the repertoire of de novo protein assemblies: secretion optimized and polymorphic assemblies

 
12:30 – 14:00 Lunch 
14:00 – 15:00 Prospects for Rosetta in the ML era: open discussion
15:00-16:30 Session VI ML & Protein design

Noelia Ferruz, A Deep unsupervised Language Model for Protein Design
Jeffrey Gray, Antibody Engineering with Deep Learning
Simon Dürr, Designing stable metalloproteins using deep learning without force field

 
16:30-17:00 Final remarks
18:00-20:00 Gala dinner

 

Contact

Conference organizers:
Dominik Gront
Justyna Kryś 
Parisa Hosseinzadeh
Jens Meiler
ercon2022@gmail.com  

Address

University of Warsaw 
Biological and Chemical Research Centre 
Żwirki i Wigury 101 
02-089 Warsaw, Poland  

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