43 Einträge gefunden

1. School of cheminformatics in Latin America

   1. Gonzalez-Ponce, Karla
   2. Horta Andrade, Carolina
   3. Hunter, Fiona
   4. Kirchmair, Johannes
   5. Martinez-Mayorga, Karina
   6. Medina-Franco, José L.
   7. Rarey, Matthias

   2023 - Forschungsinformationssystem der UHH - frei zugänglich
2. GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics

   1. De Bruyn Kops, Christina
   2. Šícho, Martin
   3. Mazzolari, Angelica
   4. Kirchmair, Johannes

   2021 - Forschungsinformationssystem der UHH - frei zugänglich
3. Antibacterial activity of xylose-derived LpxC inhibitors – Synthesis, biological evaluation and molecular docking studies

   1. Dreger, A.
   2. Hoff, K.
   3. Agoglitta, O.
   4. Hotop, S.-K.
   5. Brönstrup, M.
   6. Heisig, P.
   7. Kirchmair, Johannes

   2021 - Forschungsinformationssystem der UHH
4. Cypstrate: A set of machine learning models for the accurate classification of cytochrome p450 enzyme substratesand non-substrates

   1. Holmer, Malte
   2. de Bruyn Kops, Christina
   3. Stork, Conrad
   4. Kirchmair, Johannes

   2021 - Forschungsinformationssystem der UHH - frei zugänglich
5. Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules

   1. Wilm, A.
   2. Norinder, U.
   3. Agea, M.I.
   4. De Bruyn Kops, C.
   5. Stork, C.
   6. Kühnl, J.
   7. Kirchmair, Johannes

   2021 - Forschungsinformationssystem der UHH - frei zugänglich
6. HDAC3i‐Finder: A Machine Learning‐based Computational Tool to Screen for HDAC3 Inhibitors

   1. Li, Shan
   2. Ding, Yu
   3. Chen, Miaomiao
   4. Chen, Ya
   5. Kirchmair, Johannes
   6. Zhu, Zihao
   7. Wu, Song

   2020 - Forschungsinformationssystem der UHH
7. NERDD: A web portal providing access to in silico tools for drug discovery

   1. Stork, C.
   2. Embruch, G.
   3. Šícho, M.
   4. De Bruyn Kops, C.
   5. Chen, Y.
   6. Svozil, D.
   7. Kirchmair, Johannes

   2020 - Forschungsinformationssystem der UHH - frei zugänglich
8. ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance

   1. Fan, N.
   2. Bauer, C.A.
   3. Stork, C.
   4. de Bruyn Kops, C.
   5. Kirchmair, Johannes

   2020 - Forschungsinformationssystem der UHH - frei zugänglich
9. N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification

   1. Xue, W.
   2. Li, X.
   3. Ma, G.
   4. Zhang, H.
   5. Chen, Y.
   6. Kirchmair, Johannes
   7. Xia, J.

   2020 - Forschungsinformationssystem der UHH
10. Natural products against acute respiratory infections: Strategies and lessons learned

    1. Langeder, Julia
    2. Grienke, Ulrike
    3. Chen, Ya
    4. Kirchmair, Johannes
    5. Schmidtke, Michaela
    6. Rollinger, Judith M.

    2020 - Forschungsinformationssystem der UHH
11. Validation strategies for target prediction methods

    1. Mathai, N.
    2. Chen, Y.
    3. Kirchmair, Johannes

    2020 - Forschungsinformationssystem der UHH
12. Cheminformatics in Natural Product-based Drug Discovery

    1. Chen, Y.
    2. Kirchmair, Johannes

    2020 - Forschungsinformationssystem der UHH
13. Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules including Natural Products and Macrocyclic Ligands

    1. Chen, Y.
    2. Mathai, N.
    3. Kirchmair, Johannes
    4. Kirchmair, Johannes
    5. Kirchmair, Johannes

    2020 - Forschungsinformationssystem der UHH
14. Analysis of the FLVR motif of SHIP1 and its importance for the protein stability of SH2 containing signaling proteins

    1. Ehm, Patrick A.H.
    2. Lange, Fabiola
    3. Hentschel, Carolin
    4. Jepsen, Anneke
    5. Glück, Madeleine
    6. Nelson, Nina
    7. Bettin, Bettina

    2019 - Forschungsinformationssystem der UHH
15. INH14, a Small-Molecule Urea Derivative, Inhibits the IKKα/β-Dependent TLR Inflammatory Response

    1. Drexel, Meinrad
    2. Kirchmair, Johannes
    3. Santos-Sierra, Sandra

    2019 - Forschungsinformationssystem der UHH - frei zugänglich
16. Resources for Chemical, Biological, and Structural Data on Natural Products

    1. Chen, Ya
    2. de Bruyn Kops, Christina
    3. Kirchmair, Johannes

    2019 - Forschungsinformationssystem der UHH
17. Computational methods and tools to predict cytochrome P450 metabolism for drug discovery

    1. Tyzack, Jonathan D.
    2. Kirchmair, Johannes

    2019 - Forschungsinformationssystem der UHH - frei zugänglich
18. Conformator: A Novel Method for the Generation of Conformer Ensembles

    1. Friedrich, Nils Ole
    2. Flachsenberg, Florian
    3. Meyder, Agnes
    4. Sommer, Kai
    5. Kirchmair, Johannes
    6. Rarey, Matthias

    2019 - Forschungsinformationssystem der UHH
19. GLORY: Generator of the structures of likely cytochrome P450 metabolites based on predicted sites of metabolism

    1. de Bruyn Kops, Christina
    2. Stork, Conrad
    3. Šícho, Martin
    4. Kochev, Nikolay
    5. Svozil, Daniel
    6. Jeliazkova, Nina
    7. Kirchmair, Johannes

    2019 - Forschungsinformationssystem der UHH - frei zugänglich
20. PAIN(S) relievers for medicinal chemists: How computational methods can assist in hit evaluation

    1. Stork, C.
    2. Kirchmair, Johannes

    2018 - Forschungsinformationssystem der UHH - frei zugänglich