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Table 1 Important web links shared during the CAiSMD workshop

From: Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Speaker (lecture)

Group website (web link to tools presented)

References

Ludger A. Wessjohann (KL01)

Research group: http://www.ipb-halle.de/en/research/bioorganic-chemistry/

 

Email: wessjohann@ipb-halle.de

Tools: Databases and Tools, e.g. for computational mass spectrometry (https://www.ipb-halle.de/en/infrastructure/databases-and-tools/?MP=6-1058)

[48,49,50]

Marnix Medema (KL02)

Research group: http://marnixmedema.nl/

 

Email: marnix.medema@wur.nl

Tools: the antiSMASH software (https://antismash.secondarymetabolites.org); the antiSMASH database (https://antismash-db.secondarymetabolites.org/); Paired Omics Data Platform (https://pairedomicsdata.bioinformatics.nl); the plantiSMASH software (http://plantismash.secondarymetabolites.org/)

[13,14,15, 51, 52]

Tilmann Weber (KL03)

Research group: https://www.biosustain.dtu.dk/

 

Email: tiwe@biosustain.dtu.dk

Tools: the antiSMASH software (https://antismash.secondarymetabolites.org); the antiSMASH database (https://antismash-db.secondarymetabolites.org/); CRISPy (https://crispy.secondarymetabolites.org); the secondary metabolite bioinformatics portal (http://www.secondarymetabolites.org/)

[14, 15, 52, 53]

ÖzlemTastan Bishop (KL04)

Research group: https://rubi.ru.ac.za/

 

Email: o.tastanbishop@ru.ac.za

Tools: SANCDB compound database (https://sancdb.rubi.ru.ac.za/)

[35, 54]

Justin J. J. van der Hooft (HS01)

Research group: https://www.wur.nl/en/Persons/Justin-dr.-JJJ-Justin-van-der-Hooft.htm

 

Email: justin.vanderhooft@wur.nl

Tools: GNPS (https://gnps.ucsd.edu/ProteoSAFe/static/gnps-splash.jsp); MS2LDA (http://www.ms2lda.org); MAGMa (https://www.emetabolomics.org/); Paired Omics Data Platform (https://pairedomicsdata.bioinformatics.nl)

[34, 51, 52, 55, 56]

Daniel M Shadrack (HS02)

Research group:

 

Email: dmssjut@gmail.com

Tools: none

 

Thommas Musyoka (HS02)

Research group: same as KL04

 

Email: mutemibiochemistry@gmail.com

Tools: same as KL04

 

Fidele Ntie-Kang (HS02)

Research group: https://ntiekfidele.jimdofree.com/

 

Email: fidele.ntie-kang@ubuea.cm

Tools: ANPDB compound database (http://african-compounds.org/anpdb/)

[36, 37]

Yannick Djoumbou-Feunang (HS03)

Research group:

 

Email: yannick.djoumboufeunang@corteva.com

Tools: BioTransformer (http://biotransformer.ca/)

[26]

Conrad Stork (HS04)

Research group: https://www.zbh.uni-hamburg.de/personen/acm/cstork.html

 

Email: stork@zbh.uni-hamburg.de

Tools: NERDD web server (https://nerdd.univie.ac.at/); FAME3 (https://nerdd.univie.ac.at/fame3/); GLORY (https://nerdd.univie.ac.at/glory/); GLORYx (https://nerdd.univie.ac.at/gloryx/); Hit Dexter 2.0 (https://nerdd.univie.ac.at/hitdexter/); NP-Scout (https://nerdd.univie.ac.at/npscout/); Skin Doctor CP (https://nerdd.univie.ac.at/skinDoctorII/)

[17,18,19,20,21,22,23]

Neann Mathai (HS04)

Research group: https://www.uib.no/en/persons/Neann.Sarah.Mathai

 

Email: neann.mathai@uib.no

Tools: Same as above

 

Maria Sorokina (HS05)

Research group: https://cheminf.uni-jena.de/members/maria-sorokina/

 

Email: maria.sorokina@uni-jena.de

Tools: CDK (https://cdk.github.io/); COCONUT compound database (https://coconut.naturalproducts.net); NP-likeness score web application (https://naples.naturalproducts.net/); Sugar Removal Utility (https://sugar.naturalproducts.net/)

[38,39,40,41,42,43]

Kiran K. Telukunta (OP01)

Research group:

 

Email: kiran.telukunta@indiayouth.info

Tools: galaxy tutorials (https://galaxyproject.org/learn/)

[57]

Paul F. Zierep (OP02)

Research group: http://www.pharmbioinf.uni-freiburg.de/main/members/ziereppaul/

 

Email: paul.zierep@gmail.com

Tools: sempi 2.0 web server (http://sempi.pharmazie.uni-freiburg.de/); StreptomeDB compound database (http://thymin.pharmazie.uni-freiburg.de/streptomedb/); the ANPDB compound database (http://african-compounds.org/anpdb/)

[22, 36, 37, 58]

Victor C. Osamor (OP03)

Research group: https://covenantuniversity.edu.ng/Profiles/Osamor-Victor-Chukwudi#.YGYag1UzbIU

 

Email: victor.osamor@covenantuniversity.edu.ng; vcosamor@gmail.com

Tools: OsamorSoft (not available)

[23]

Marilia Valli (OP04)

Research group: https://nubbe.iq.unesp.br/portal/index.html

 

Email: mariliava@gmail.com

Tools: NuBBE database (https://nubbe.iq.unesp.br/portal/nubbe-search.html)

[59, 60]

Vanderlan da Silva Bolzani (OP04)

Research group: same as above

 

Email: vanderlan.bolzani@unesp.br

Tools: same as above

 

Samuel Egieyeh (OP05)

Research group:

 

Email: segieyeh@uwc.ac.za

Tools: none

 

Miquel Duran-Frigola (OP06)

Research group: https://ersilia.io/

 

Email: miquel@ersilia.io

Tools: Chemical Checker (https://pypi.org/project/chemicalchecker/)

[61]

Yannick Djoumbou-Feunang (OP07)

Research group: same as HS03

 

Email: yannick.djoumboufeunang@corteva.com

Tools: same as HS03

 

Ana L. Chávez-Hernández (OP08)

Research group: https://www.difacquim.com/

 

Email: anachavez3026@gmail.com

Tools: Epigenetic Target Profiler web server (http://www.epigenetictargetprofiler.com); BIOFACQUIM natural products database and other tools, e.g. Platform for Unified Molecular Analysis (PUMA), Activity Landscape Plotter, etc. (https://www.difacquim.com/d-tools/)

[62, 63]

José L. Medina-Franco (OP08)

Research group: same as above

 

Email: jose.medina.franco@gmail.com

Tools: same as above

 

Johannes Kirchmair (OP09)

Research group: https://comp3d.univie.ac.at/the-comp3d-team/johannes-kirchmair/

 

Email: johannes.kirchmair@univie.ac.at

Tools: same as HS04

 

Maria Sorokina (OP10)

Research group: same as HS05

 

Email: maria.sorokina@uni-jena.de

Tools: same as HS05

 

Vaishali M. Patil (OP11)

Research group:

 

Email: vaishuwise@gmail.com

Tools: none

 

Romuald Tematio Fouedjou (OP12)

Research group:

 

Email: tematioromy@yahoo.fr

Tools: none