Atelier de Modélisation des Molécules d’Intérêt Biologique de Paris-Saclay

8:30 - 9:30 (1h)

Welcome Coffee

Hall Emmy Noether

9:30 - 9:50 (20min)

Introduction

Amphiteatre Hodgkin

David Perahia / Marco Pasi

9:50 - 10:15 (25min)

AlphaConformers: Predicting Multiple Conformations with AlphaFold2

Amphiteatre Hodgkin

Diego Javier Zea

10:15 - 10:40 (25min)

Étude de l'interaction entre la protéine MSMP et la protéine CCR2

Amphiteatre Hodgkin

Léopold Quitté

10:40 - 11:10 (30min)

Coffee break + posters (morning)

Hall Emmy Noether

11:10 - 11:35 (25min)

Deciphering viral protein-protein interactions using AlphaFold

Amphiteatre Hodgkin

Thibault Tubiana

11:35 - 12:00 (25min)

Approaching the confirmation of a novel Hepatitis C Virus NS5A dimerisation region

Amphiteatre Hodgkin

Gabriel Vanegas Arias

12:00 - 12:25 (25min)

Computational characterization and understanding of protein assemblies: the case of the Escherichia coli Ubi metabolon involved in ubiquinone biosynthesis

Amphiteatre Hodgkin

Romain Launay

12:25 - 14:15 (1h50)

Lunch + posters

Hall Emmy Noether

14:15 - 14:40 (25min)

Simulated Solute Tempering 2

Amphiteatre Hodgkin

Samuel Murail

14:40 - 15:05 (25min)

Molecular Modeling of NOX5 protein: Impact of the Initial Structure and Membrane composition

Amphiteatre Hodgkin

Baptiste Etcheverry

15:05 - 15:30 (25min)

Insights into the gating mechanism and structural impact of disease-related mutants in the human Kir2.1 channel: an integrative study combining cryo-EM and molecular dynamics simulations

Amphiteatre Hodgkin

Carlos H. Fernandes

15:30 - 16:00 (30min)

Coffee break + posters (afternoon)

Hall Emmy Noether

16:00 - 16:25 (25min)

Quantifying detrusor smooth muscle electrophysiology from calcium transient images to understand urinary incontinence

Amphiteatre Hodgkin

Chitaranjan Mahapatra

16:25 - 16:50 (25min)

Interaction between Human α-synuclein and polyethylene based plastic particles: A molecular dynamics simulations based exploration

Amphiteatre Hodgkin

Neha Tripathi

16:50 - 17:15 (25min)

Modèle physique apportant un nouvel éclairage sur les interactions complexes entre les molécules membranaires

Amphiteatre Hodgkin

Mohammed Adel Djibaoui

17:15 - 17:30 (15min)

Closing words

Amphiteatre Hodgkin

David Perahia / Marco Pasi

Program