| Converging a Knowledge-Based Scoring Function: DrugScore2018 J Dittrich, D Schmidt, C Pfleger, H Gohlke Journal of chemical information and modeling 59 (1), 509-521, 2018 | 71 | 2018 |
| Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking D Schmidt, V Bernat, R Brox, N Tschammer, P Kolb ACS chemical biology 10 (3), 715-724, 2015 | 47 | 2015 |
| Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry M Martí-Solano, D Schmidt, P Kolb, J Selent Drug discovery today 21 (4), 625-631, 2016 | 40 | 2016 |
| Cosolvent-enhanced sampling and unbiased identification of cryptic pockets suitable for structure-based drug design D Schmidt, M Boehm, CL McClendon, R Torella, H Gohlke Journal of chemical theory and computation 15 (5), 3331-3343, 2019 | 35 | 2019 |
| Surprising non-additivity of methyl groups in drug–kinase interaction B Wienen-Schmidt, D Schmidt, HD Gerber, A Heine, H Gohlke, G Klebe ACS chemical biology 14 (12), 2585-2594, 2019 | 18 | 2019 |
| Analyzing kinase similarity in small molecule and protein structural space to explore the limits of multi-target screening D Schmidt, MM Scharf, D Sydow, E Aßmann, M Martí-Solano, M Keul, ... Molecules 26 (3), 629, 2021 | 11 | 2021 |
| Similarity- and substructure-based development of β2-adrenergic receptor ligands based on unusual scaffolds D Schmidt, J Gunera, JG Baker, P Kolb ACS Medicinal Chemistry Letters, 2017 | 8 | 2017 |
| 11th German Conference on Chemoinformatics (GCC 2015) U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, ... Journal of Cheminformatics 8 (1), 18, 2016 | 2 | 2016 |
| 2.2 Computational Approaches in Pharmaceutical Research D Schmidt, C Pfleger, SMA Hermans, M Boehm, H Gohlke Conference Book, 27, 2018 | | 2018 |
| In silico searches for selective small-molecule ligands of GPCRs with highly designed libraries P Kolb, F Chevillard, D Schmidt ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Transient Pocket Identification and Evaluation of their Role for Allostery D Schmidt, C Pfleger, SMA Hermans, M Boehm, H Gohlke Biophysical Journal 114 (3), 421a, 2018 | | 2018 |
| Identification of Ligands with Tailored Selectivity: Strategies & Application D Schmidt Philipps-Universität Marburg, 2015 | | 2015 |
| Large-scale docking approaches to the kinome D Schmidt, P Kolb Journal of Cheminformatics 6 (Suppl 1), P31, 2014 | | 2014 |
| Computergestützte Entwicklung selektiver Liganden G-Protein-gekoppelter Rezeptoren D Schmidt, P Kolb DMW-Deutsche Medizinische Wochenschrift 138 (44), 2260-2264, 2013 | | 2013 |
