Year |
Citation |
Score |
2021 |
Schmidt D, Scharf MM, Sydow D, Aßmann E, Martí-Solano M, Keul M, Volkamer A, Kolb P. Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening. Molecules (Basel, Switzerland). 26. PMID 33530327 DOI: 10.3390/molecules26030629 |
0.682 |
|
2019 |
Wienen-Schmidt B, Schmidt D, Gerber HD, Heine A, Gohlke H, Klebe G. Surprising Non-Additivity of Methyl-Groups in Drug-Kinase Interaction. Acs Chemical Biology. PMID 31638770 DOI: 10.1021/acschembio.9b00476 |
0.341 |
|
2019 |
Schmidt D, Boehm M, McClendon CL, Torella R, Gohlke H. Cosolvent-enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-based Drug Design. Journal of Chemical Theory and Computation. PMID 30998331 DOI: 10.1021/Acs.Jctc.8B01295 |
0.331 |
|
2017 |
Schmidt D, Gunera J, Baker JG, Kolb P. Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds. Acs Medicinal Chemistry Letters. 8: 481-485. PMID 28523097 DOI: 10.1021/Acsmedchemlett.6B00363 |
0.604 |
|
2016 |
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, ... ... Schmidt D, et al. 11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. Journal of Cheminformatics. 8: 18. PMID 29270804 DOI: 10.1186/S13321-016-0119-5 |
0.489 |
|
2016 |
Martí-Solano M, Schmidt D, Kolb P, Selent J. Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry. Drug Discovery Today. 21: 625-31. PMID 26821135 DOI: 10.1016/J.Drudis.2016.01.009 |
0.653 |
|
2015 |
Schmidt D, Bernat V, Brox R, Tschammer N, Kolb P. Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking. Acs Chemical Biology. 10: 715-24. PMID 25398025 DOI: 10.1021/Cb500577J |
0.695 |
|
2014 |
Schmidt D, Kolb P. Large-scale docking approaches to the kinome Journal of Cheminformatics. 6: 31. DOI: 10.1186/1758-2946-6-S1-P31 |
0.625 |
|
2013 |
Schmidt D, Kolb P. Computergestützte Entwicklung selektiver Liganden G-Protein-gekoppelter Rezeptoren Deutsche Medizinische Wochenschrift. 138: 2260-2264. PMID 24065450 DOI: 10.1055/S-0033-1349483 |
0.55 |
|
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