diff --git a/software/index.md b/software/index.md
index d7768133..45e1fc6b 100644
--- a/software/index.md
+++ b/software/index.md
@@ -7,11 +7,16 @@ image:
feature: pages/banner_software.jpg
---
-This page provide you links to software and software manuals of the computational structural biology group.
+This page provide you links to software, web services and datasets of the computational structural biology group.
* table of contents
{:toc}
+
+### WEB PORTAL
+ All software offered as web service can be access from our web portal at:
+
+ * [**wenmr.science.uu.nl**](https://wenmr.science.uu.nl){:target="_blank"}
### HADDOCK
@@ -19,88 +24,94 @@ This page provide you links to software and software manuals of the computationa
* [**HADDOCK best practice guide**](/software/bpg) - A must read when starting to use our software!
- * [**HADDOCK2.4/5 software**](/software/haddock2.4/) - Official 2.4/5 production version
+ * [**HADDOCK2.5 software**](/software/haddock2.5/) - Official 2.5 production version
- * [**HADDOCK2.4 web server**](https://wenmr.science.uu.nl/haddock2.4/) - production version
+ * [**HADDOCK2.4 web server**](https://wenmr.science.uu.nl/haddock2.4/){:target="_blank"} - production version (running the 2.5 version of HADDOCK in background)
- * [**HADDOCK3 software**](/software/haddock3) - A new, very experimental [BioExcel](https://www.bioexcel.eu) redesign of HADDOCK in a modular code. Use it at your own risk!
+ * [**HADDOCK3 software**](/software/haddock3) - A [BioExcel](https://www.bioexcel.eu){:target="_blank"} redesign of HADDOCK in a modular code. Still in beta release.
### [HADDOCKING GitHub repository](https://github.com/haddocking)
The GitHub repository for HADDOCK and its associated tools
- * [**Arctic-3D**](https://github.com/haddocking/arctic3d):
- ARCTIC-3D is a software for data-mining and clustering of protein interface information. It allows you to retrieve all the existing interface information for your desired protein from the [PDBE graph database](https://www.ebi.ac.uk/pdbe/pdbe-kb/), grouping similar interfaces in interacting surfaces.
+ * [**Arctic-3D**](https://github.com/haddocking/arctic3d){:target="_blank"}:
+ ARCTIC-3D is a software for data-mining and clustering of protein interface information.
+ It allows you to retrieve all the existing interface information for your desired protein from
+ the [PDBE graph database](https://www.ebi.ac.uk/pdbe/pdbe-kb/){:target="_blank"}, grouping similar interfaces in interacting surfaces.
+ Also available as **[web service](https://wenmr.science.uu.nl/arctic3d){:target="_blank"}**
+
+ * [**Binding_affinity: PRODIGY**](https://github.com/haddocking/binding_affinity){:target="_blank"}:
+ A collection of Python scripts to predict the binding affinity in protein-protein complexes.
+ Also available as **[web service](https://wenmr.science.uu.nl/prodigy){:target="_blank"}**
- * [**Binding_affinity: PRODIGY**](https://github.com/haddocking/binding_affinity):
- A collection of Python scripts to predict the binding affinity in protein-protein complexes.
+ * [**DisVis**](https://github.com/haddocking/disvis){:target="_blank"}:
+ A Python package and command-line tool to quantify and visualize the accessible interaction space of distance-restrained biomolecular complexes.
+ Also available as **[web service](https://wenmr.science.uu.nl/disvis){:target="_blank"}**
- * [**DisVis**](https://github.com/haddocking/disvis):
- A Python package and command-line tool to quantify and visualize the accessible interaction space of distance-restrained biomolecular complexes.
+ * [**Fraction of common contact clustering**](https://github.com/haddocking/fcc){:target="_blank"}:
+ Clustering of biomolecular complexes based on the fraction of common contacts
- * [**Fraction of common contact clustering**](https://github.com/haddocking/fcc):
- Clustering of biomolecular complexes based on the fraction of common contacts
+ * [**HADDOCK-tools**](https://github.com/haddocking/haddock-tools){:target="_blank"}:
+ A collection of useful scripts related to HADDOCK
- * [**HADDOCK-tools**](https://github.com/haddocking/haddock-tools):
- A collection of useful scripts related to HADDOCK
+ * [**PDB-tools**](https://github.com/haddocking/pdb-tools){:target="_blank"}:
+ A collection of Python scripts for the manipulation (renumbering, changing chain and segIDs...) of PDB files.
+ For documentation refer to [https://www.bonvinlab.org/pdb-tools/](https://www.bonvinlab.org/pdb-tools/){:target="_blank"}.
+ Also available as **[web service](https://wenmr.science.uu.nl/pdbtools){:target="_blank"}**
- * [**PDB-tools**](https://github.com/haddocking/pdb-tools):
- A collection of Python scripts for the manipulation (renumbering, changing chain and segIDs...) of PDB files.
- For documentation refer to [https://www.bonvinlab.org/pdb-tools/](https://www.bonvinlab.org/pdb-tools/).
- And now also available as [web portal](https://wenmr.science.uu.nl/pdbtools)!
+ * [**PowerFit**](https://github.com/haddocking/powerfit){:target="_blank"}:
+ PowerFit is a Python package and simple command-line program to automatically fit high-resolution atomic structures in cryo-EM densities.
+ Also available as **[web service](https://alcazar.science.uu.nl/services/POWERFIT){:target="_blank"}**
- * [**PowerFit**](https://github.com/haddocking/powerfit):
- PowerFit is a Python package and simple command-line program to automatically fit high-resolution atomic structures in cryo-EM densities.
+ * [**Samplex**](https://github.com/haddocking/samplex){:target="_blank"}:
+ Samplex is an automatic and unbiased method to distinguish perturbed and unperturbed regions in a protein existing
+ in two distinct states (folded/partially unfolded, bound/unbound). Samplex takes as input a set of data and the corresponding
+ 3D structure and returns the confidence for each residue to be in a perturbed or unperturbed state.
- * [**Samplex**](https://github.com/haddocking/samplex):
- Samplex is an automatic and unbiased method to distinguish perturbed and unperturbed regions in a protein existing in two distinct states (folded/partially unfolded, bound/unbound). Samplex takes as input a set of data and the corresponding three-dimensional structure and returns the confidence for each residue to be in a perturbed or unperturbed state.
+ * [**WHISCY**](https://github.com/haddocking/whiscy){:target="_blank"}:
+ WHISCY is a program to predict protein-protein interfaces. It is primarily based on conservation,
+ but it also takes into account structural information.
+ Also available as **[web service](https://wenmr.science.uu.nl/whiscy){:target="_blank"}**
### 3D-DART DNA modelling
3D-DART provides a convenient means of generating custom structural models of DNA. Our server is no longer in operation because of security issues, but you can run it yourself from a docker container. Visit for this our GitHub repo below.
- * [**3D-DART**](https://github.com/haddocking/3D-DART-server/)
-
-
-### Bioinformatics interface predictors
-
- * [**WHISCY**](https://nmr.chem.uu.nl/Software/whiscy/index.html)
- WHISCY is a program to predict protein-protein interfaces. It is primarily based on conservation, but it also takes into account structural information.
-
- * [**CPORT**](https://alcazar.science.uu.nl/services/CPORT)
- CPORT is an algorithm for the prediction of protein-protein interface residues. It combines six interface prediction methods into a consensus predictor
+ * [**3D-DART**](https://github.com/haddocking/3D-DART-server/){:target="_blank"}
### Deep learning protein interactions
- * [**DeepRank**](https://github.com/DeepRank/deeprank)
+ * [**DeepRank**](https://github.com/DeepRank/deeprank){:target="_blank"}
DeepRank is a general, configurable deep learning framework for data mining protein-protein interactions (PPIs) using 3D convolutional neural networks (CNNs).
- * [**DeepRank-GNN**](https://github.com/DeepRank/Deeprank-GNN)
+ * [**DeepRank-GNN**](https://github.com/DeepRank/Deeprank-GNN){:target="_blank"}
DeepRank-GNN is a general, configurable deep learning framework for data mining protein-protein interactions (PPIs) using graph convolutional neural networks (CNNs).
- * [**DeepRank-GNN-esm**](https://github.com/haddocking/DeepRank-GNN-esm)
+ * [**DeepRank-GNN-esm**](https://github.com/haddocking/DeepRank-GNN-esm){:target="_blank"}
DeepRank-GNN-esm is a general, configurable deep learning framework for data mining protein-protein interactions (PPIs) using graph convolutional neural networks (CNNs) and including language model features.
### Benchmarks and datasets
-* Docking benchmark of membrane protein complexes ([GitHub](https://github.com/haddocking/MemCplxDB)) and associated decoy dataset [ https://doi.org/10.15785/SBGRID/618]( https://doi.org/10.15785/SBGRID/618)
+* Docking benchmark of membrane protein complexes ([GitHub](https://github.com/haddocking/MemCplxDB){:target="_blank"}) and associated decoy dataset [ https://doi.org/10.15785/SBGRID/618]( https://doi.org/10.15785/SBGRID/618){:target="_blank"}
+
+* Cleaned Docking Benchmark 5 dataset, HADDOCK-ready, with unbound and bound structures matched: [https://github.com/haddocking/BM5-clean](https://github.com/haddocking/BM5-clean){:target="_blank"}
-* Cleaned Docking Benchmark 5 dataset, HADDOCK-ready, with unbound and bound structures matched: [https://github.com/haddocking/BM5-clean](https://github.com/haddocking/BM5-clean)
+* HADDOCK docking decoys for the new entries (55) of the protein-protein Docking Benchmark5: [https://data.sbgrid.org/dataset/131/](https://data.sbgrid.org/dataset/131/){:target="_blank"}
-* HADDOCK docking decoys for the new entries (55) of the protein-protein Docking Benchmark5: [https://data.sbgrid.org/dataset/131/](https://data.sbgrid.org/dataset/131/)
+* Docking models for Docking Benchmark 4, 5 and CAPRI score_set: [https://doi.org/10.15785/SBGRID/684](https://doi.org/10.15785/SBGRID/684){:target="_blank"}
-* Docking models for Docking Benchmark 4, 5 and CAPRI score_set: [https://doi.org/10.15785/SBGRID/684](https://doi.org/10.15785/SBGRID/684)
+* HADDOCK refined models for the biological/crystallographic interfaces collected in the DC and MANY datasets: [https://doi.org/10.15785/SBGRID/566](https://doi.org/10.15785/SBGRID/566){:target="_blank"}
-* HADDOCK refined models for the biological/crystallographic interfaces collected in the DC and MANY datasets: [https://doi.org/10.15785/SBGRID/566](https://doi.org/10.15785/SBGRID/566)
+* HADDOCK models of mutant protein complexes: [https://doi.org/10.15785/SBGRID/651](https://doi.org/10.15785/SBGRID/651){:target="_blank"}
-* HADDOCK models of mutant protein complexes: [https://doi.org/10.15785/SBGRID/651](https://doi.org/10.15785/SBGRID/651)
+* [Protein-DNA docking benchmark](https://github.com/haddocking/Prot-DNABenchmark){:target="_blank"}
-* [Protein-DNA docking benchmark](https://github.com/haddocking/Prot-DNABenchmark)
+* [Protein-small molecule benchmark](https://github.com/haddocking/shape-restrained-haddocking){:target="_blank"} containing all data related to our shape-restrained protein-ligand docking protocol (based on the DUDe small molecule benchmark. See the related tutorial [here](https://www.bonvinlab.org/education/HADDOCK24/shape-small-molecule/){:target="_blank"}
-* [Protein-cyclic peptide docking benchmark](https://github.com/haddocking/cyclic-peptides) and associated models dataset [https://data.sbgrid.org/dataset/912](https://data.sbgrid.org/dataset/912)
+* [Protein-cyclic peptide docking benchmark](https://github.com/haddocking/cyclic-peptides){:target="_blank"} and associated models dataset [https://data.sbgrid.org/dataset/912](https://data.sbgrid.org/dataset/912){:target="_blank"}.
-* All-atom and Coarse-grained HADDOCK docking models for Protein-DNA complexes: [https://zenodo.org/record/3941636](https://zenodo.org/record/3941636)
+* All-atom and Coarse-grained HADDOCK docking models for Protein-DNA complexes: [https://zenodo.org/record/3941636](https://zenodo.org/record/3941636){:target="_blank"}
-* [Dataset of modelled protein-cyclic peptide complexes](https://data.sbgrid.org/dataset/912/) obtained with HADDOCK corresponding to the optimal protocol described in [Charitou et al. JCTC 2022](https://doi.org/10.1021/acs.jctc.2c00075)
+* [Dataset of modelled protein-cyclic peptide complexes](https://data.sbgrid.org/dataset/912/){:target="_blank"} obtained with HADDOCK corresponding to the optimal protocol described in [Charitou et al. JCTC 2022](https://doi.org/10.1021/acs.jctc.2c00075){:target="_blank"}