BonvinLab

Welcome!

The Utrecht Biomolecular Interactions software portal provides access to software tools developed in the Computational Structural Biology group / NMR Research Group of Utrecht University with a main focus on the characterization of biomolecular interactions. Please note that this site is in active development.

Research

Research within the computational structural biology group focuses on the development of reliable bioinformatic and computational approaches to predict, model and dissect biomolecular interactions at atomic level.

For this, bioinformatic data, structural information and available biochemical or biophysical experimental data are combined to drive the modelling process. By following a holistic approach integrating various experimental information sources with computational structural biology methods we aim at obtaining a comprehensive description of the structural and dynamic landscape of complex biomolecular machines, adding the structural dimension to interaction networks and opening the route to systematic and genome-wide studies of biomolecular interactions.

Services


HADDOCK v2.4

HADDOCK is an integrative platform for the modeling of biomolecular complexes. It supports a large variety of input data and can deal multi-component assembles of proteins, peptide, small molecules and nucleic acids.

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HADDOCK v2.5

We are working on a new and modern interface for HADDOCK! Soon we will make it availble for everyone stay tuned!

🚧 Team testing 🚧

HADDOCK v3.0

🚧 Coming soon! 🚧

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Prodigy

PRODIGY predicts the binding affinity of protein-protein and protein-small molecules complexes and also allows to classify crystallographic interfaces as biological or not.

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Arctic3D

An algorithm for Data Mining and Clustering of protein interfaces

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Deeprank-GNN-ESM

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🚧 Team testing 🚧

proABC-2

proABC-2 predicts which residues of an antibody are forming intermolecular contacts with its cognate antigen.

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GenTBL

Generate HADDOCK compatible ambiguous restraints.

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DISVIS

DISVIS quantifies and visualizes the information content of distance restraints between two molecules.

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POWERFIT

POWERFIT automatically fits atomic models into cryo-EM density maps.

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WHISCY

WHISCY predicts protein-protein interfaces, based primarily on conservation, but also taking into account structural information.

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FANDAS

Fast Analysis of multidimensional NMR DAta Sets (FANDAS) is a tool to predict peaks for multidimensional NMR experiments on proteins.

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PDB-tools

A dependency-free cross-platform Swiss army knife for massaging PDB files.

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SPOTON

SPOTON determines hot-spot residues at protein-protein interfaces.

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Software


FCC Clustering

FCC Clustering is a tool to cluster protein structures based on their shape complementarity.

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3D-DART

3D-DART builds custom DNA models with specific bend properties.

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CPORT

CPORT is a meta predictor for protein-protein interface residues.

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Benchmark and Datasets


Prot-DNA Docking

Our Protein-DNA benchmark contains 47 unbound-unbound test cases of a varying degree of difficulty. Visit the site to read more and download the benchmark.

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Binding Affinity

We present a protein−protein binding affinity benchmark consisting of binding constants (Kd’s) for 81 complexes.

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HADDOCK models

Access various HADDOCK models datasets from our lab page at SBGrid.

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Docking BM5

Docking benchmark 5 (BM5) - cleaned and ready to use for HADDOCK.

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