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Program
Tue. 20
List
Tue. 20
09:00
10:00
11:00
12:00
13:00
14:00
15:00
16:00
17:00
Welcome coffee
9:00 - 9:30 (30min)
Welcome coffee
Opening introduction
9:30 - 9:45 (15min)
Opening introduction
AI-Driven Computational Insights into KV10.1 Channels in Breast Cancer: Electrophysiological Mechanisms, Machine Learning Analysis, and Therapeutic Prospects
9:45 - 10:05 (20min)
AI-Driven Computational Insights into KV10.1 Channels in Breast Cancer: Electrophysiological Mechanisms, Machine Learning Analysis, and Therapeutic Prospects
C. Mahapatra
Cross-Genotype Comparison of HEV pORF1 Domain Architecture: Insights from AlphaFold Modeling
10:05 - 10:25 (20min)
Cross-Genotype Comparison of HEV pORF1 Domain Architecture: Insights from AlphaFold Modeling
T. Tubiana
The opportunities and limitations of AlphaFold to model allosteric proteins: A case study on P2X receptors
10:25 - 10:45 (20min)
The opportunities and limitations of AlphaFold to model allosteric proteins: A case study on P2X receptors
A. Taly
Coffee break and poster session
10:45 - 11:15 (30min)
Coffee break and poster session
Peut-on tenir compte de la membrane dans le calcul des modes normaux d'une protéine membranaire ?
11:15 - 11:45 (30min)
Peut-on tenir compte de la membrane dans le calcul des modes normaux d'une protéine membranaire ?
L. Mouawad
High-Pressure Response of the Coupled Dynamics of Lipids and Membrane Protein in Infinite Bilayer and Nanodisc
11:45 - 12:05 (20min)
High-Pressure Response of the Coupled Dynamics of Lipids and Membrane Protein in Infinite Bilayer and Nanodisc
Y. Gautier
Challenging protein/lipid foce fields: binding of the cell penetrating peptide penetratin on lipid membranes of different composition
12:05 - 12:25 (20min)
Challenging protein/lipid foce fields: binding of the cell penetrating peptide penetratin on lipid membranes of different composition
M. Zygadlo
Experimental and computational study of the protein-membrane interaction of the proposed N-terminal HEV ORF1 domain MetY
12:25 - 12:45 (20min)
Experimental and computational study of the protein-membrane interaction of the proposed N-terminal HEV ORF1 domain MetY
G. Vanegas Arias
Lunch and poster session
12:45 - 14:10 (1h25)
Lunch and poster session
Exploring conformational features on protein cages by computational simulations
14:10 - 14:30 (20min)
Exploring conformational features on protein cages by computational simulations
D. Gauto
Molecular mechanism of latent allostery in DHFR
14:30 - 14:50 (20min)
Molecular mechanism of latent allostery in DHFR
P. Guénon
Disorder characterisation of an intrinsically disordered protein (IDP), human endosulfatase 2 (HSULF2)
14:50 - 15:10 (20min)
Disorder characterisation of an intrinsically disordered protein (IDP), human endosulfatase 2 (HSULF2)
J. Tao
Des3PI: a Computational Fragment-based Approach to Design Peptides Targeting Protein-Protein Interactions
15:10 - 15:30 (20min)
Des3PI: a Computational Fragment-based Approach to Design Peptides Targeting Protein-Protein Interactions
M. Delaunay
Coffee break and poster session
15:30 - 16:00 (30min)
Coffee break and poster session
Statistical Molecular Interaction Fields for protein and RNA binding pockets' characterization
16:00 - 16:20 (20min)
Statistical Molecular Interaction Fields for protein and RNA binding pockets' characterization
D. Barquero Morera
Structural biology of single-stranded, positive-sense RNA viruses using AlphaFold: Enter RNA
16:20 - 16:40 (20min)
Structural biology of single-stranded, positive-sense RNA viruses using AlphaFold: Enter RNA
S. Bressanelli
Molecular modeling of the intrinsically disordered protein TDP43 interacting with RNA GU6
16:40 - 17:00 (20min)
Molecular modeling of the intrinsically disordered protein TDP43 interacting with RNA GU6
Z. Feng
Coarse-grained molecular dynamics simulation of liquid-liquid phase separation of intrinsically disordered proteins
17:00 - 17:20 (20min)
Coarse-grained molecular dynamics simulation of liquid-liquid phase separation of intrinsically disordered proteins
Y. Jiang
Closing remarks
17:20 - 17:30 (10min)
Closing remarks
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