Joint Integrative Computational Biology workshop and CAPRI Meeting

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Sessions*

Computational Methods and Deep Learning

Non Globular Proteins

Protein conformational flexibility and solution experiments

Protein in Solution

CAPRI

Protein-Nucleic Acid Interactions (CAPRI)

Protein-Small Molecule Interactions (CAPRI)

Artificial Intelligence for Protein Interactions (CAPRI)

Discussion Session for Part I

Discussion Session for Part II (CAPRI)

Welcome & Introduction

Poster session & buffet

Welcome & Introduction CAPRI

Poster session CAPRI

Dinner in the City Centre

Registration

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Contributions*

An Iteratively Derived Knowledge-based Scoring Function at Atomic Level for Protein-DNA Complexes Evaluations (in session "CAPRI")

Analysis of interfaces in protein complexes using Voronoi tessellations and graph neural networks (in session "Computational Methods and Deep Learning")

Analysis of protein-nucleic acid interactions in the PPI3D web server (in session "Computational Methods and Deep Learning")

Assessing the impact of single-point mutations and alternative splicing-induced variations on protein-protein interactions (in session "CAPRI")

Asymmetric hydrophobic mismatch in assembly of ATP synthase rotor ring (in session "Computational Methods and Deep Learning")

Automated protein-to-Structure pipelines for new structures and X-ray based ligand screening at EMBL Grenoble. Experience from our first collaboration with CAPRI (in session "CAPRI")

CAPRI 2024: Pre- and post-Alphafold protein docking (in session "CAPRI")

Challenges in visualizing structural flexibility of the SAGA complex (in session "Protein conformational flexibility and solution experiments")

Complementarity based peptide docking and design (in session "Computational Methods and Deep Learning")

Deciphering protein conformational dynamics with cryo-EM and MD simulations (in session "Protein conformational flexibility and solution experiments")

Dissecting peripheral protein-membrane interfaces (in session "Computational Methods and Deep Learning")

Ensemble based calculations of spin-spin couplings in proteins: from ordered to disordered peptides (in session "Protein conformational flexibility and solution experiments")

Exploring the conformational space of proteins by enumeration in the frame of the Distance Geometry Problem (in session "Computational Methods and Deep Learning")

From Interaction Prediction to Sequence Design: Unveiling PeSTo's Potential in Structural Biology (in session "CAPRI")

FTDMP: a framework for protein-protein, protein-DNA and protein-RNA docking and scoring (in session "CAPRI")

Generating backbone conformational changes with seven league boots (in session "Computational Methods and Deep Learning")

Generative models and analysis tools for the study of highly-flexible (intrinsically disordered) proteins (in session "Computational Methods and Deep Learning")

HADDOCK in latest CAPRI rounds (in session "CAPRI")

High-throughput prediction of ATP synthase rotor ring stoichiometries (in session "CAPRI")

Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility (in session "Protein conformational flexibility and solution experiments")

Hybrid methods for analyzing conformational variability in cryo-EM and cryo-ET data (in session "Computational Methods and Deep Learning")

Impact of AI-Based Modeling on the Accuracy of Protein Assembly Prediction: The CASP Perspective (in session "CAPRI")

Integrated pipeline for protein docking with extended and enhanced Alphafold-based modeling methods (in session "CAPRI")

Integrative Biology to tackle mitochondrial respiration in Alzheimer’s pathogenesis (in session "Protein conformational flexibility and solution experiments")

Integrative ensemble modeling that utilizes distance distribution restraints (in session "Protein conformational flexibility and solution experiments")

Integrative modeling meets deep learning: applications to crosslinking mass spectrometry (in session "Computational Methods and Deep Learning")

Integrative modeling of protein oligomers using Heligeom (in session "Computational Methods and Deep Learning")

Integrative spatiotemporal map of nucleocytoplasmic transport (in session "Computational Methods and Deep Learning")

Integrative structural biology of cell extracts : an application to structurally undercharacterized organisms (in session "Protein conformational flexibility and solution experiments")

Integrative structural biology with atomic force microscopy data (in session "Protein conformational flexibility and solution experiments")

Integrative structure of a histone chaperone-histone complex (in session "Computational Methods and Deep Learning")

Interpretable Affinity Prediction and Generative Design for Protein-Ligand Interactions (in session "CAPRI")

Intrinsically disordered regulators of endocytosis - an integrated NMR/single molecule fluorescence approach (in session "Protein conformational flexibility and solution experiments")

Mariage of Cryo-EM, Solution Scattering, and Computational Science (in session "Protein conformational flexibility and solution experiments")

MassiveFold: optimized massive sampling with AlphaFold2 (in session "CAPRI")

Mechanistic study of MexAB-OprM efflux pump by an integrative approach (in session "Protein conformational flexibility and solution experiments")

Modeling of immune recognition and protein complexes with deep learning and physics-based docking (in session "CAPRI")

Multistage Docking Approach for Protein-RNA Interactions Prediction in CAPRI and CASP (in session "CAPRI")

NMR Provides Unique Insight into the Functional Dynamics and Interactions of Intrinsically Disordered Proteins involved in Viral Replication (in session "Protein conformational flexibility and solution experiments")

POU5F1B and GOLPH3, two challenging proteins in structural biology (in session "Protein conformational flexibility and solution experiments")

Prediction and refinement of protein assemblies with ClusPro, Alphafold and Molecular Dynamics. (in session "CAPRI")

Protein Dynamics at extreme Temperatures (in session "Protein conformational flexibility and solution experiments")

Protein structure evolution and convergence (in session "Computational Methods and Deep Learning")

Shape retrieval methods for the classification of protein surfaces (in session "CAPRI")

Spectral partitioning into protein structural domains (in session "Computational Methods and Deep Learning")

Structure and function relationships in protein homorepeats (in session "Protein conformational flexibility and solution experiments")

Studying specificity in protein–glycosaminoglycan recognition with umbrella sampling (in session "Computational Methods and Deep Learning")

The Expanding Horizon of Protein Interactions (in session "CAPRI")

The Influence of Globular Domains on an Intrinsically Disordered Region of p53: A Molecular Dynamics Investigation (in session "Protein conformational flexibility and solution experiments")

Towards integrative use of pyDock and AI-based modeling in 8th CAPRI (in session "CAPRI")

Unsupervised Machine Learning and Phase Space Reduction: A Robust and Generalisable Approach for Concurrently Solving the Protein Complex Conformation Classification and Quantification Problems. (in session "CAPRI")

VTX: High-performance molecular structure and dynamics visualization (in session "Computational Methods and Deep Learning")

What have we learned (and memorized) about peptide-mediated interactions in CAPRI and beyond? (in session "CAPRI")

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Events scheduled on*

12/02/2024

13/02/2024

14/02/2024

15/02/2024

16/02/2024

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