Discover the research our team has contributed to in the following publications below grouped by year:
Year 2025 (4 publications)
-
[Article] GPCRchimeraDB: A Database of Chimeric G Protein-Coupled Receptors (GPCRs) to Assist Their Design
Journal of Molecular Biology 437, 169164 (2025).
DOI: 10.1016/j.jmb.2025.169164
Bio2Byte involvement: Adrian Diaz, Charlotte Crauwels, Wim Vranken, [Article] Gradations in protein dynamics captured by experimental NMR are not well represented by AlphaFold2 models and other computational metrics
Journal of Molecular Biology 437, 168900 (2025).
DOI: 10.1016/j.jmb.2024.168900
Bio2Byte involvement: Jose Gavaldá-García, Bhawna Dixit, Adrian Diaz, Wim Vranken, [Article] Combining evolution and protein language models for an interpretable cancer driver mutation prediction with D2Deep
Briefings in Bioinformatics 26, bbae664 (2025).
DOI: 10.1093/bib/bbae664
Bio2Byte involvement: Konstantina Tzavella, Adrian Diaz, Wim Vranken, [Article] Critical assessment of missense variant effect predictors on disease-relevant variant data
Human Genetics 144, 281-293 (2025).
DOI: 10.1007/s00439-025-02732-2
Bio2Byte involvement: François Ancien, Wim Vranken, Daniele Raimondi,
Year 2024 (7 publications)
-
[Article] Bio2Byte Tools deployment as a Python package and Galaxy tool to predict protein biophysical properties
Bioinformatics 40, btae543 (2024).
DOI: 10.1093/bioinformatics/btae543
Bio2Byte involvement: Jose Gavaldá-García, Adrian Diaz, Wim Vranken, [Article] Data-driven probabilistic definition of the low energy conformational states of protein residues
NAR Genomics and Bioinformatics 6, lqae082 (2024).
DOI: 10.1093/nargab/lqae082
Bio2Byte involvement: Gabriele Orlando, Jose Gavaldá-García, Joel Roca Martinez, David Bickel, Wim Vranken, Daniele Raimondi, [Article] Effects of Phosphorylation on Protein Backbone Dynamics and Conformational Preferences
Journal of Chemical Theory and Computation 20, 4998-5011 (2024).
DOI: 10.1021/acs.jctc.4c00206
Bio2Byte involvement: David Bickel, Wim Vranken, [Article] Large-scale structure-informed multiple sequence alignment of proteins with SIMSApiper
Bioinformatics 40, btae276 (2024).
DOI: 10.1093/bioinformatics/btae276
Bio2Byte involvement: Adrian Diaz, Charlotte Crauwels, Sophie-Luise Heidig, Wim Vranken, [Article] Analysis of the inter-domain orientation of tandem RRM domains with diverse linkers: connecting experimental with AlphaFold2 predicted models
NAR Genomics and Bioinformatics 6, lqae002 (2024).
DOI: 10.1093/nargab/lqae002
Bio2Byte involvement: Joel Roca Martinez, Wim Vranken, [Article] Leucine Motifs Stabilize Residual Helical Structure in Disordered Proteins
Journal of Molecular Biology 436, 168444 (2024).
DOI: 10.1016/j.jmb.2024.168444
Bio2Byte involvement: Wim Vranken, [Article] Conformational dynamics of α-1 acid glycoprotein (AGP) in cancer: A comparative study of glycosylated and unglycosylated AGP
Proteins: Structure, Function and Bioinformatics 92, 246-264 (2024).
DOI: 10.1002/prot.26607
Bio2Byte involvement: Bhawna Dixit, Wim Vranken,
Year 2023 (10 publications)
-
[Erratum] Author Correction: Deep mutational scanning of essential bacterial proteins can guide antibiotic development (Nature Communications, (2023), 14, 1, (241), 10.1038/s41467-023-35940-3)
Nature Communications 14, 657 (2023).
DOI: 10.1038/s41467-023-36287-5
Bio2Byte involvement: Wim Vranken, [Article] Deep mutational scanning of essential bacterial proteins can guide antibiotic development
Nature Communications 14, 241 (2023).
DOI: 10.1038/s41467-023-35940-3
Bio2Byte involvement: Wim Vranken, [Article] The ACPYPE web server for small-molecule MD topology generation
Bioinformatics 39, btad350 (2023).
DOI: 10.1093/bioinformatics/btad350
Bio2Byte involvement: Adrian Diaz, Wim Vranken, Luciano Kagami, [Article] New simulation insights on the structural transition mechanism of bovine rhodopsin activation
Proteins: Structure, Function and Bioinformatics 91, 771-780 (2023).
DOI: 10.1002/prot.26465
Bio2Byte involvement: Taushif Khan, David Bickel, Wim Vranken, [Article] Experiences with a training DSW knowledge model for early-stage researchers
Open Research Europe 3, 97 (2023).
DOI: 10.12688/openreseurope.15609.1
Bio2Byte involvement: Jose Gavaldá-García, Joel Roca Martinez, Wim Vranken, [Article] Deciphering the RRM-RNA recognition code: A computational analysis
PLoS Computational Biology 19, e1010859 (2023).
DOI: 10.1371/journal.pcbi.1010859
Bio2Byte involvement: Joel Roca Martinez, Wim Vranken, [Article] Evolution of CRISPR-associated endonucleases as inferred from resurrected proteins
Nature Microbiology 8, 77-90 (2023).
DOI: 10.1038/s41564-022-01265-y
Bio2Byte involvement: Adrian Diaz, Wim Vranken, [Erratum] Author Correction: Massively parallel interrogation of protein fragment secretability using SECRiFY reveals features influencing secretory system transit (Nature Communications, (2021), 12, 1, (6414), 10.1038/s41467-021-26720-y)
Nature Communications 14, 1072 (2023).
DOI: 10.1038/s41467-023-36844-y
Bio2Byte involvement: Wim Vranken, Pathmanaban Ramasamy, [Article] Minimum information guidelines for experiments structurally characterizing intrinsically disordered protein regions
Nature Methods 20, 1291-1303 (2023).
DOI: 10.1038/s41592-023-01915-x
Bio2Byte involvement: Kim Van Roey, Wim Vranken, [Article] CAID prediction portal: A comprehensive service for predicting intrinsic disorder and binding regions in proteins
Nucleic Acids Research 51, W62-W69 (2023).
DOI: 10.1093/nar/gkad430
Bio2Byte involvement: Adrian Diaz, Haochen Li, Wim Vranken,
Year 2022 (6 publications)
-
[Article] Evolutionary adaptation of the protein folding pathway for secretability
EMBO Journal 41, e111344 (2022).
DOI: 10.15252/embj.2022111344
Bio2Byte involvement: Wim Vranken, [Article] Panoramic Perspective on Human Phosphosites
Journal of Proteome Research 21, 1894-1915 (2022).
DOI: 10.1021/acs.jproteome.2c00164
Bio2Byte involvement: Wim Vranken, Pathmanaban Ramasamy, [Article] Challenges in describing the conformation and dynamics of proteins with ambiguous behavior
Frontiers in Molecular Biosciences 9, 959956 (2022).
DOI: 10.3389/fmolb.2022.959956
Bio2Byte involvement: Jose Gavaldá-García, Joel Roca Martinez, Maité Sanchez Fornaris, David Bickel, Bhawna Dixit, Konstantina Tzavella, Wim Vranken, Pathmanaban Ramasamy, [Article] Prediction of Disordered Regions in Proteins with Recurrent Neural Networks and Protein Dynamics
Journal of Molecular Biology 434, 167579 (2022).
DOI: 10.1016/j.jmb.2022.167579
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] MutaFrame - an interpretative visualization framework for deleteriousness prediction of missense variants in the human exome
Bioinformatics 38, 265-266 (2022).
DOI: 10.1093/bioinformatics/btab453
Bio2Byte involvement: François Ancien, Wim Vranken, [Article] PDBe-KB: collaboratively defining the biological context of structural data
Nucleic Acids Research 50, D534-D542 (2022).
DOI: 10.1093/nar/gkab988
Bio2Byte involvement: Wim Vranken, Pathmanaban Ramasamy, Gurdeep Singh,
Year 2021 (9 publications)
-
[Article] ShiftCrypt: A web server to understand and biophysically align proteins through their NMR chemical shift values
Nucleic Acids Research 48, W36-W40 (2021).
DOI: 10.1093/NAR/GKAA391
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, Luciano Kagami, [Article] Online biophysical predictions for SARS-CoV-2 proteins
BMC Molecular and Cell Biology 22, bbaa408 (2021).
DOI: 10.1186/s12860-021-00362-w
Bio2Byte involvement: Jose Gavaldá-García, Joel Roca Martinez, Wim Vranken, Pathmanaban Ramasamy, Luciano Kagami, [Review] Computational resources for identifying and describing proteins driving liquid-liquid phase separation
Briefings in Bioinformatics 22, bbaa408 (2021).
DOI: 10.1093/bib/bbaa408
Bio2Byte involvement: Wim Vranken, [Article] B2bTools: Online predictions for protein biophysical features and their conservation
Nucleic Acids Research 49, W52-W59 (2021).
DOI: 10.1093/nar/gkab425
Bio2Byte involvement: François Ancien, Gabriele Orlando, Jose Gavaldá-García, Joel Roca Martinez, Bhawna Dixit, Konstantina Tzavella, Wim Vranken, Pathmanaban Ramasamy, Daniele Raimondi, Luciano Kagami, [Article] MobiDB: Intrinsically disordered proteins in 2021
Nucleic Acids Research 49, D361-D367 (2021).
DOI: 10.1093/nar/gkaa1058
Bio2Byte involvement: Wim Vranken, Pathmanaban Ramasamy, [Article] Interpreting a black box predictor to gain insights into early folding mechanisms
Computational and Structural Biotechnology Journal 19, 4919-4930 (2021).
DOI: 10.1016/j.csbj.2021.08.041
Bio2Byte involvement: Wim Vranken, [Article] Massively parallel interrogation of protein fragment secretability using SECRiFY reveals features influencing secretory system transit
Nature Communications 12, 6414 (2021).
DOI: 10.1038/s41467-021-26720-y
Bio2Byte involvement: Wim Vranken, Pathmanaban Ramasamy, [Article] Critical assessment of protein intrinsic disorder prediction
Nature Methods 18, 472-481 (2021).
DOI: 10.1038/s41592-021-01117-3
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM
Nature Methods 18, 60-68 (2021).
DOI: 10.1038/s41592-020-01001-6
Bio2Byte involvement: Aitor Sánchez, Wim Vranken,
Year 2020 (5 publications)
-
[Article] Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context
Journal of Proteome Research 19, 3478-3486 (2020).
DOI: 10.1021/acs.jproteome.0c00306
Bio2Byte involvement: Wim Vranken, Pathmanaban Ramasamy, [Article] Distance-Based Metrics for Comparing Conformational Ensembles of Intrinsically Disordered Proteins
Biophysical Journal 118, 2952-2965 (2020).
DOI: 10.1016/j.bpj.2020.05.015
Bio2Byte involvement: Wim Vranken, [Article] Accurate prediction of protein beta-aggregation with generalized statistical potentials
Bioinformatics 36, 2076-2081 (2020).
DOI: 10.1093/bioinformatics/btz912
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] PDBE-KB: A community-driven resource for structural and functional annotations
Nucleic Acids Research 48, D344-D353 (2020).
DOI: 10.1093/nar/gkz853
Bio2Byte involvement: Wim Vranken, Gurdeep Singh, [Article] DisProt: Intrinsic protein disorder annotation in 2020
Nucleic Acids Research 48, D269-D276 (2020).
DOI: 10.1093/nar/gkz975
Bio2Byte involvement: Wim Vranken,
Year 2019 (6 publications)
-
[Article] Exploring the limitations of biophysical propensity scales coupled with machine learning for protein sequence analysis
Scientific Reports 9, 16932 (2019).
DOI: 10.1038/s41598-019-53324-w
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Erratum] Author Correction: Exploring the Sequence-based Prediction of Folding Initiation Sites in Proteins (Scientific Reports, (2017), 7, 1, (8826), 10.1038/s41598-017-08366-3)
Scientific Reports 9, 12140 (2019).
DOI: 10.1038/s41598-019-48219-9
Bio2Byte involvement: Taushif Khan, Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index
Nature Communications 10, 2511 (2019).
DOI: 10.1038/s41467-019-10322-w
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Computational identification of prion-like RNA-binding proteins that form liquid phase-separated condensates
Bioinformatics 35, 4617-4623 (2019).
DOI: 10.1093/bioinformatics/btz274
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Structural basis of the subcellular topology landscape of Escherichia coli
Frontiers in Microbiology 10, 1-22 (2019).
DOI: 10.3389/fmicb.2019.01670
Bio2Byte involvement: Wim Vranken, [Article] An intrinsically disordered proteins community for ELIXIR [version 1; peer review: 2 approved]
F1000Research 8, 1753 (2019).
DOI: 10.12688/f1000research.20136.1
Bio2Byte involvement: Wim Vranken,
Year 2018 (6 publications)
-
[Article] RINspector: A Cytoscape app for centrality analyses and DynaMine flexibility prediction
Bioinformatics 34, 294-296 (2018).
DOI: 10.1093/bioinformatics/btx586
Bio2Byte involvement: Wim Vranken, [Article] AmyPro: A database of proteins with validated amyloidogenic regions
Nucleic Acids Research 46, D387-D392 (2018).
DOI: 10.1093/nar/gkx950
Bio2Byte involvement: Wim Vranken, [Article] Large-scale in-silico statistical mutagenesis analysis sheds light on the deleteriousness landscape of the human proteome
Scientific Reports 8, 16980 (2018).
DOI: 10.1038/s41598-018-34959-7
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Ultra-fast global homology detection with Discrete Cosine Transform and Dynamic Time Warping
Bioinformatics 34, 3118-3125 (2018).
DOI: 10.1093/bioinformatics/bty309
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Lexicon visualization library and javascript for scientific data visualization
Computing in Science and Engineering 20, 50-65 (2018).
DOI: 10.1109/MCSE.2018.011111125
Bio2Byte involvement: François Ancien, Taushif Khan, Ibrahim Tanyalçin, Wim Vranken, [Article] MobiDB 3.0: More annotations for intrinsic disorder, conformational diversity and interactions in proteins
Nucleic Acids Research 46, D471-D476 (2018).
DOI: 10.1093/nar/gkx1071
Bio2Byte involvement: Wim Vranken,
Year 2017 (7 publications)
-
[Article] SVM-dependent pairwise HMM: An application to protein pairwise alignments
Bioinformatics 33, 3902-3908 (2017).
DOI: 10.1093/bioinformatics/btx391
Bio2Byte involvement: Taushif Khan, Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Exploring the Sequence-based Prediction of Folding Initiation Sites in Proteins
Scientific Reports 7, 8826 (2017).
DOI: 10.1038/s41598-017-08366-3
Bio2Byte involvement: Taushif Khan, Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] DEOGEN2: Prediction and interactive visualization of single amino acid variant deleteriousness in human proteins
Nucleic Acids Research 45, W201-W206 (2017).
DOI: 10.1093/nar/gkx390
Bio2Byte involvement: Gabriele Orlando, Ibrahim Tanyalçin, Wim Vranken, Daniele Raimondi, [Article] Seeing the trees through the forest: Sequencebased homo- and heteromeric protein-protein interaction sites prediction using random forest
Bioinformatics 33, 1479-1487 (2017).
DOI: 10.1093/bioinformatics/btx005
Bio2Byte involvement: Wim Vranken, [Article] DisProt 7.0: A major update of the database of disordered proteins
Nucleic Acids Research 45, D219-D227 (2017).
DOI: 10.1093/nar/gkw1056
Bio2Byte involvement: Wim Vranken, [Article] Investigating the Molecular Mechanisms Behind Uncharacterized Cysteine Losses from Prediction of Their Oxidation State
Human Mutation 38, 86-94 (2017).
DOI: 10.1002/humu.23129
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Erratum] Corrigendum: DisProt 7.0: a major update of the database of disordered proteins
Nucleic acids research 45, D1123-D1124 (2017).
DOI: 10.1093/nar/gkw1279
Bio2Byte involvement: Wim Vranken,
Year 2016 (4 publications)
-
[Article] Observation selection bias in contact prediction and its implications for structural bioinformatics
Scientific Reports 6, 36679 (2016).
DOI: 10.1038/srep36679
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Article] Multilevel biological characterization of exomic variants at the protein level significantly improves the identification of their deleterious effects
Bioinformatics 32, 1797-1804 (2016).
DOI: 10.1093/bioinformatics/btw094
Bio2Byte involvement: Wim Vranken, Daniele Raimondi, [Article] Early Folding Events, Local Interactions, and Conservation of Protein Backbone Rigidity
Biophysical Journal 110, 572-583 (2016).
DOI: 10.1016/j.bpj.2015.12.028
Bio2Byte involvement: Wim Vranken, Daniele Raimondi, [Article] Start2Fold: A database of hydrogen/deuterium exchange data on protein folding and stability
Nucleic Acids Research 44, D429-D434 (2016).
DOI: 10.1093/nar/gkv1185
Bio2Byte involvement: Wim Vranken,
Year 2015 (6 publications)
-
[Article] The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013
Journal of Biomolecular NMR 62, 413-424 (2015).
DOI: 10.1007/s10858-015-9953-4
Bio2Byte involvement: Wim Vranken, [Article] Analysis of the structural quality of the CASD-NMR 2013 entries
Journal of Biomolecular NMR 62, 527-540 (2015).
DOI: 10.1007/s10858-015-9949-0
Bio2Byte involvement: Wim Vranken, [Short Survey] Computational approaches for inferring the functions of intrinsically disordered proteins
Frontiers in Molecular Biosciences 2, 45 (2015).
DOI: 10.3389/fmolb.2015.00045
Bio2Byte involvement: Wim Vranken, [Article] An evolutionary view on Disulfide bond connectivities prediction using phylogenetic trees and a simple cysteine mutation model
PLoS ONE 10, e0131792 (2015).
DOI: 10.1371/journal.pone.0131792
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi, [Letter] NMR Exchange Format: A unified and open standard for representation of NMR restraint data
Nature Structural and Molecular Biology 22, 433-434 (2015).
DOI: 10.1038/nsmb.3041
Bio2Byte involvement: Wim Vranken, [Article] Clustering-based model of cysteine co-evolution improves disulfide bond connectivity prediction and reduces homologous sequence requirements
Bioinformatics 31, 1219-1225 (2015).
DOI: 10.1093/bioinformatics/btu794
Bio2Byte involvement: Gabriele Orlando, Wim Vranken, Daniele Raimondi,
Year 2014 (6 publications)
-
[Book Chapter] NMR-based modeling and refinement of protein 3D structures
Molecular Modeling of Proteins: Second Edition N/A, 351-380 (2014).
DOI: 10.1007/978-1-4939-1465-4_16
Bio2Byte involvement: Wim Vranken, [Article] The DynaMine webserver: Predicting protein dynamics from sequence
Nucleic Acids Research 42, W264-W270 (2014).
DOI: 10.1093/nar/gku270
Bio2Byte involvement: Wim Vranken, [Article] Study of the structural and dynamic effects in the FimH adhesin upon α-D-heptyl mannose binding
Journal of Medicinal Chemistry 57, 1416-1427 (2014).
DOI: 10.1021/jm401666c
Bio2Byte involvement: Wim Vranken, [Review] NMR structure validation in relation to dynamics and structure determination
Progress in Nuclear Magnetic Resonance Spectroscopy 82, 27-38 (2014).
DOI: 10.1016/j.pnmrs.2014.08.001
Bio2Byte involvement: Wim Vranken, [Chapter] NMR-based modeling and refinement of protein 3D structures
Molecular Modeling of Proteins: Second Edition N/A, 351-380 (2014).
DOI: 10.1007/978-1-4939-1465-4_16
Bio2Byte involvement: Wim Vranken, [Article] Small-angle X-ray scattering- and nuclear magnetic resonance-derived conformational ensemble of the highly flexible antitoxin PaaA2
Structure 22, 854-865 (2014).
DOI: 10.1016/j.str.2014.03.012
Bio2Byte involvement: Wim Vranken,
Year 2013 (3 publications)
-
[Article] From protein sequence to dynamics and disorder with DynaMine
Nature Communications 4, 2741 (2013).
DOI: 10.1038/ncomms3741
Bio2Byte involvement: Wim Vranken, [Article] Recommendations of the wwPDB NMR validation task force
Structure 21, 1563-1570 (2013).
DOI: 10.1016/j.str.2013.07.021
Bio2Byte involvement: Wim Vranken, [Article] Improving 3D structure prediction from chemical shift data
Journal of Biomolecular NMR 57, 27-35 (2013).
DOI: 10.1007/s10858-013-9762-6
Bio2Byte involvement: Wim Vranken,
Year 2012 (7 publications)
-
[Article] WeNMR: Structural Biology on the Grid
Journal of Grid Computing 10, 743-767 (2012).
DOI: 10.1007/s10723-012-9246-z
Bio2Byte involvement: Wim Vranken, [Article] CING: An integrated residue-based structure validation program suite
Journal of Biomolecular NMR 54, 267-283 (2012).
DOI: 10.1007/s10858-012-9669-7
Bio2Byte involvement: Wim Vranken, [Article] ACPYPE - AnteChamber PYthon Parser interfacE
BMC Research Notes 5, 367 (2012).
DOI: 10.1186/1756-0500-5-367
Bio2Byte involvement: Wim Vranken, [Article] Protein structure validation using side-chain chemical shifts
Journal of Physical Chemistry B 116, 4754-4759 (2012).
DOI: 10.1021/jp2122054
Bio2Byte involvement: Wim Vranken, [Article] Determination of secondary structure populations in disordered states of proteins using nuclear magnetic resonance chemical shifts
Biochemistry 51, 2224-2231 (2012).
DOI: 10.1021/bi3001825
Bio2Byte involvement: Wim Vranken, [Article] NRG-CING: Integrated validation reports of remediated experimental biomolecular NMR data and coordinates in wwPDB
Nucleic Acids Research 40, D519–D524 (2012).
DOI: 10.1093/nar/gkr1134
Bio2Byte involvement: Wim Vranken, [Article] Blind testing of routine, fully automated determination of protein structures from nmr data
Structure 20, 227-236 (2012).
DOI: 10.1016/j.str.2012.01.002
Bio2Byte involvement: Wim Vranken,
Year 2011 (4 publications)
-
[Conference Paper] WeNMR: Structural biology on the grid
CEUR Workshop Proceedings 819, 743-767 (2011).
DOI: N/A
Bio2Byte involvement: Wim Vranken, [Article] Using side-chain aromatic proton chemical shifts for a quantitative analysis of protein structures
Angewandte Chemie - International Edition 50, 9620-9623 (2011).
DOI: 10.1002/anie.201101641
Bio2Byte involvement: Wim Vranken, [Article] Structure-based prediction of methyl chemical shifts in proteins
Journal of Biomolecular NMR 50, 331-346 (2011).
DOI: 10.1007/s10858-011-9524-2
Bio2Byte involvement: Wim Vranken, [Article] Bayesian estimation of NMR restraint potential and weight: A validation on a representative set of protein structures
Proteins: Structure, Function and Bioinformatics 79, 1525-1537 (2011).
DOI: 10.1002/prot.22980
Bio2Byte involvement: Wim Vranken,