Schedule

Day 1

August 2, 2023

9:25 - 9:30 AM

Welcome Address

9:30 - 10:15 AM

Andrej Šali 

Integrative Modelling

10:15 - 10:30 AM

Photo session

Break 10:30 - 11:00 AM

11:00 - 11:30 AM

Eswar Narayanan

Macromolecular complexes in the control of agricultural pests

11:30 - 12:00 PM

Raghavan Varadarajan

Mapping binding sites using saturation mutagenesis

12:00 -12:30 PM

Damien Devos

Microbiology's platypus and the Tree of Life

12:30 -1:00 PM

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

Bayesian metamodeling across representations and scales: from nucleocytoplasmic transport to T-cell activation

4:30 - 5:00 PM

Dmitry Korkin

Molecular architecture and interaction dynamics of SARS-CoV-2 envelope via integrative modeling

5:00 - 5:30 PM

M.S. Madhusudhan

A 3D model of the Keratin (K5-K14) intermediate filament

Dinner 7:30 PM

Day 2

August 3, 2023

9:30 - 10:00 AM

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

Sex-determining 3D regulatory hubs revealed by genome spatial auto-correlation analysis

10:30 - 11:00 AM

Massimilliano Bonomi

Protein structural ensembles by integrative computational-experimental approaches

Break  11:00 - 11:30 AM

11:30 - 12:00 PM

Avner Schlessinger

Structure-based discovery of conformation-specific small molecule modulators of proteins

12:00 -12:30 PM

Chandra Shekhar Verma

Extending the value of biomolecular models and simulations: directly influencing clinical decisions

12:30 - 1:00 PM

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

NVIDIA Industry partner

Accelerated Computing

4:30 - 5:00 PM

Maya Topf

Modeling virus complexes: Unveiling Errors and Ensuring Structural Validity in the Alphafold Era

5:00 - 5:30 PM

Shruthi Viswanath

Integrative structure determination of disordered proteins

Dinner 7:30 PM

 

Day 3

August 4, 2023

8:30 - 8:50 AM

Shruthi Viswanath

Introduction to integrative modelling

8:50 - 9:20 AM

Ben Webb

IMP software introduction

9:20 - 9:50 AM

Neelesh Soni

PMI as a high-level language

9:50 - 10:20 AM

Muskaan Jindal

Practicals: gathering data

10:20 - 10:50 AM

Muskaan Jindal

Practicals: representations and topology files

Break 10:50 - 11:10 AM

11:10 - 11:25 AM

Shreyas Arvindekar

Introduction to restraints

11:25 - 11:55 AM

Riccardo Pellarin

Bayesian restraints: crosslinking MS restraint as an example

11:55 - 12:25 PM

Tanmoy Sanyal

Creating your own custom restraints

Lunch 12:30 - 1:30 PM

1:30 - 1:50 PM

Shreyas Arvindekar

Practicals: restraints

1:50 - 2:20 PM

Kartik Majila

Sampling using replica exchange MCMC

2:20 - 3:20 PM

Kartik Majila

Practicals: Sampling

Break 3:20 - 3:40 PM

3:40 - 4:10 PM

Ignacia Echeverria

PMI analysis pipeline

4:10 - 4:25 PM

Shruthi Viswanath

Analysis and validation

4:25 - 4:45 PM

Shruthi Viswanath

Practicals: analysis and validation