12 Einträge gefunden

1. Analyzing structural features of proteins from deep-sea organisms

   1. Sieg, Jochen
   2. Sandmeier, Chris Claudius
   3. Lieske, Julia
   4. Meents, Alke
   5. Lemmen, Christian
   6. Streit, Wolfgang R.
   7. Rarey, Matthias

   2022 - Forschungsinformationssystem der UHH - frei zugänglich
2. Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence

   1. Harren, Tobias
   2. Matter, Hans
   3. Hessler, Gerhard
   4. Rarey, Matthias
   5. Grebner, Christoph

   2022 - Forschungsinformationssystem der UHH
3. FastGrow: on-the-fly growing and its application to DYRK1A

   1. Penner, Patrick
   2. Martiny, Virginie
   3. Bellmann, Louis
   4. Flachsenberg, Florian
   5. Gastreich, Marcus
   6. Theret, Isabelle
   7. Meyer, Christophe

   2022 - Forschungsinformationssystem der UHH - frei zugänglich
4. ProteinsPlus: a comprehensive collection of web-based molecular modeling tools

   1. Schöning-Stierand, Katrin
   2. Diedrich, Konrad
   3. Ehrt, Christiane
   4. Flachsenberg, Florian
   5. Graef, Joel
   6. Sieg, Jochen
   7. Penner, Patrick

   2022 - Forschungsinformationssystem der UHH - frei zugänglich
5. Synthesis-Aware Generation of Structural Analogues

   1. Dolfus, Uschi
   2. Briem, Hans
   3. Rarey, Matthias

   2022 - Forschungsinformationssystem der UHH
6. Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment Spaces

   1. Bellmann, Louis
   2. Klein, Raphael
   3. Rarey, Matthias

   2022 - Forschungsinformationssystem der UHH
7. Small molecule superposition: A comprehensive overview on pose scoring of the latest methods

   1. Hönig, Sophia M.N.
   2. Lemmen, Christian
   3. Rarey, Matthias

   2022 - Forschungsinformationssystem der UHH - frei zugänglich
8. Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores

   1. Meyenburg, Christian
   2. Dolfus, Uschi
   3. Briem, Hans
   4. Rarey, Matthias

   2022 - Forschungsinformationssystem der UHH - frei zugänglich
9. The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare

   1. Penner, Patrick
   2. Guba, Wolfgang
   3. Schmidt, Robert
   4. Meyder, Agnes
   5. Stahl, Martin
   6. Rarey, Matthias

   2022 - Forschungsinformationssystem der UHH
10. Visualizing Generic Reaction Patterns

    1. Dolfus, Uschi
    2. Briem, Hans
    3. Rarey, Matthias

    2022 - Forschungsinformationssystem der UHH
11. Searching Geometric Patterns in Protein Binding Sites and Their Application to Data Mining in Protein Kinase Structures

    1. Graef, Joel
    2. Ehrt, Christiane
    3. Diedrich, Konrad
    4. Poppinga, Martin
    5. Ritter, Norbert
    6. Rarey, Matthias

    2022 - Forschungsinformationssystem der UHH
12. Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs

    1. Bellmann, Louis
    2. Penner, Patrick
    3. Gastreich, Marcus
    4. Rarey, Matthias

    2022 - Forschungsinformationssystem der UHH