7 Einträge gefunden

1. NAOMInext – Synthetically feasible fragment growing in a structure-based design context

   1. Sommer, Kai
   2. Flachsenberg, Florian
   3. Rarey, Matthias

   2019 - Forschungsinformationssystem der UHH
2. 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
3. Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis

   1. Ehmki, Emanuel S.R.
   2. Schmidt, Robert
   3. Ohm, Farina
   4. Rarey, Matthias

   2019 - Forschungsinformationssystem der UHH
4. Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration

   1. Bellmann, Louis
   2. Penner, Patrick
   3. Rarey, Matthias

   2019 - Forschungsinformationssystem der UHH
5. Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms

   1. Schmidt, Robert
   2. Ehmki, Emanuel S.R.
   3. Ohm, Farina
   4. Ehrlich, Hans Christian
   5. Mashychev, Andriy
   6. Rarey, Matthias

   2019 - Forschungsinformationssystem der UHH
6. StructureProfiler: An all-in-one tool for 3D protein structure profiling

   1. Meyder, Agnes
   2. Kampen, Stefanie
   3. Sieg, Jochen
   4. Fährrolfes, Rainer
   5. Friedrich, Nils Ole
   6. Flachsenberg, Florian
   7. Rarey, Matthias

   2019 - Forschungsinformationssystem der UHH
7. In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening

   1. Sieg, Jochen
   2. Flachsenberg, Florian
   3. Rarey, Matthias

   2019 - Forschungsinformationssystem der UHH