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Day 1
August 2, 2023
August 2, 2023
9:25 - 9:30 AM
Welcome Address
Welcome Address
9:30 - 10:15 AM
Andrej Ĺ aliÂ
Andrej Ĺ aliÂ
Integrative Modelling
10:15 - 10:30 AM
Photo session
Photo session
Break 10:30 - 11:00 AM
11:00 - 11:30 AM
Eswar Narayanan
Eswar Narayanan
Macromolecular complexes in the control of agricultural pests
11:30 - 12:00 PM
Raghavan Varadarajan
Raghavan Varadarajan
Mapping binding sites using saturation mutagenesis
12:00 -12:30 PM
Damien Devos
Damien Devos
Microbiology's platypus and the Tree of Life
12:30 -1:00 PM
Keren Lasker
Keren Lasker
Multi-scale characterization of a biomolecular condensate
Lunch 1:00 - 2:00
2:00 - 4:00 PM
POSTER PRESENTATION
4:00 - 4:30 PM
Barak Raveh
Barak Raveh
Bayesian metamodeling across representations and scales: from nucleocytoplasmic transport to T-cell activation
4:30 - 5:00 PM
Dmitry Korkin
Dmitry Korkin
Molecular architecture and interaction dynamics of SARS-CoV-2 envelope via integrative modeling
5:00 - 5:30 PM
M.S. Madhusudhan
M.S. Madhusudhan
A 3D model of the Keratin (K5-K14) intermediate filament
Dinner 7:30 PM
Day 2
August 3, 2023
August 3, 2023
9:30 - 10:00 AM
Frank Alber
Frank Alber
Evaluating the role of the nuclear microenvironment for gene function from integrative genome structure modeling
10:00 - 10:30 AM
Marc Marti Renom
Marc Marti Renom
Sex-determining 3D regulatory hubs revealed by genome spatial auto-correlation analysis
10:30 - 11:00 AM
Massimilliano Bonomi
Massimilliano Bonomi
Protein structural ensembles by integrative computational-experimental approaches
Break 11:00 - 11:30 AM
11:30 - 12:00 PM
Avner Schlessinger
Avner Schlessinger
Structure-based discovery of conformation-specific small molecule modulators of proteins
12:00 -12:30 PM
Chandra Shekhar Verma
Chandra Shekhar Verma
Extending the value of biomolecular models and simulations: directly influencing clinical decisions
12:30 - 1:00 PM
Fan Hao
Fan Hao
Toward fast and accurate prediction of enzyme mutant activity
Lunch 1:00 - 2:00
2:00 - 4:00 PM
POSTER PRESENTATION
4:00 - 4:30 PM
Vivek Rai
Vivek Rai
NVIDIA Industry partner
NVIDIA Industry partner
Accelerated Computing
Accelerated Computing
4:30 - 5:00 PM
Maya Topf
Maya Topf
Modeling virus complexes: Unveiling Errors and Ensuring Structural Validity in the Alphafold Era
5:00 - 5:30 PM
Shruthi Viswanath
Shruthi Viswanath
Integrative structure determination of disordered proteins
Dinner 7:30 PM
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Day 3
August 4, 2023
August 4, 2023
8:30 - 8:50 AM
Shruthi Viswanath
Shruthi Viswanath
Introduction to integrative modelling
8:50 - 9:20 AM
Ben Webb
Ben Webb
IMP software introduction
9:20 - 9:50 AM
Neelesh Soni
Neelesh Soni
PMI as a high-level language
9:50 - 10:20 AM
Muskaan Jindal
Muskaan Jindal
Practicals: gathering data
10:20 - 10:50 AM
Muskaan Jindal
Muskaan Jindal
Practicals: representations and topology files
Break 10:50 - 11:10 AM
11:10 - 11:25 AM
Shreyas Arvindekar
Shreyas Arvindekar
Introduction to restraints
11:25 - 11:55 AM
Riccardo Pellarin
Riccardo Pellarin
Bayesian restraints: crosslinking MS restraint as an example
11:55 - 12:25 PM
Tanmoy Sanyal
Tanmoy Sanyal
Creating your own custom restraints
Lunch 12:30 - 1:30 PM
1:30 - 1:50 PM
Shreyas Arvindekar
Shreyas Arvindekar
Practicals: restraints
1:50 - 2:20 PM
Kartik Majila
Kartik Majila
Sampling using replica exchange MCMC
2:20 - 3:20 PM
Kartik Majila
Kartik Majila
Practicals: Sampling
Break 3:20 - 3:40 PM
3:40 - 4:10 PM
Ignacia Echeverria
Ignacia Echeverria
PMI analysis pipeline
4:10 - 4:25 PM
Shruthi Viswanath
Shruthi Viswanath
Analysis and validation
4:25 - 4:45 PM
Shruthi Viswanath
Shruthi Viswanath
Practicals: analysis and validation
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