E-LIB Suche - Ergebnisse für: Rarey, Matthias

1

Enhanced Calculation of Property Distributions in Chemical ..:

Lübbers, Justin ; Lessel, Uta ; Rarey, Matthias
Journal of Chemical Information and Modeling. 64 (2024) 6 - p. 2008-2020 , 2024

Link: https://doi.org/10.1021/..

2

Database-Driven Identification of Structurally Similar Prot..:

Graef, Joel ; Ehrt, Christiane ; Reim, Thorben.
Journal of Chemical Information and Modeling. 64 (2024) 8 - p. 3332-3349 , 2024

Link: https://doi.org/10.1021/..

3

SiteMine: Large‐scale binding site similarity searching in ..:

Reim, Thorben ; Ehrt, Christiane ; Graef, Joel...
Archiv der Pharmazie. 357 (2024) 5 - p. , 2024

Link: https://doi.org/10.1002/..

4

User-centric design of a 3D search interface for protein-li..:

Diedrich, Konrad ; Ehrt, Christiane ; Graef, Joel...
Journal of Computer-Aided Molecular Design. 38 (2024) 1 - p. , 2024

Link: https://doi.org/10.1007/..

5

Modern machine‐learning for binding affinity estimation of ..:

Harren, Tobias ; Gutermuth, Torben ; Grebner, Christoph..
WIREs Computational Molecular Science. 14 (2024) 3 - p. , 2024

Link: https://doi.org/10.1002/..

6

SpaceGrow: efficient shape-based virtual screening of billi..:

Hönig, Sophia M. N. ; Flachsenberg, Florian ; Ehrt, Christiane...
Journal of Computer-Aided Molecular Design. 38 (2024) 1 - p. , 2024

Link: https://doi.org/10.1007/..

7

Methods for Processing and Analyzing Protein Structure Coll..:

Sieg, Jochen , 2023

Link: https://nbn-resolving.or..

8

Modeling with Alternate Locations in X-ray Protein Structur..:

Gutermuth, Torben ; Sieg, Jochen ; Stohn, Tim.
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2573-2585 , 2023

Link: https://doi.org/10.1021/..

9

School of cheminformatics in Latin America:

Gonzalez-Ponce, Karla ; Horta Andrade, Carolina ; Hunter, Fiona...
Journal of Cheminformatics. 15 (2023) 1 - p. , 2023

Link: https://doi.org/10.1186/..

10

PoseEdit: enhanced ligand binding mode communication by int..:

Diedrich, Konrad ; Krause, Bennet ; Berg, Ole.
Journal of Computer-Aided Molecular Design. 37 (2023) 10 - p. 491-503 , 2023

Link: https://doi.org/10.1007/..

11

Searching similar local 3D micro-environments in protein st..:

Sieg, Jochen ; Rarey, Matthias
Briefings in Bioinformatics. 24 (2023) 6 - p. , 2023

Link: https://doi.org/10.1093/..

12

Redocking the PDB:

Flachsenberg, Florian ; Ehrt, Christiane ; Gutermuth, Torben.
Journal of Chemical Information and Modeling. 64 (2023) 1 - p. 219-237 , 2023

Link: https://doi.org/10.1021/..

13

Binding Site Detection Remastered: Enabling Fast, Robust, a..:

Graef, Joel ; Ehrt, Christiane ; Rarey, Matthias
Journal of Chemical Information and Modeling. 63 (2023) 10 - p. 3128-3137 , 2023

Link: https://doi.org/10.1021/..

14

Navigating large chemical spaces in early-phase drug discov..:

Korn, Malte ; Ehrt, Christiane ; Ruggiu, Fiorella..
Current Opinion in Structural Biology. 80 (2023) - p. 102578 , 2023

Link: https://doi.org/10.1016/..

15

Full Modification Control over Retrosynthetic Routes for Gu..:

Dolfus, Uschi ; Briem, Hans ; Gutermuth, Torben.
Journal of Chemical Information and Modeling. 63 (2023) 21 - p. 6587-6597 , 2023

Link: https://doi.org/10.1021/..