| Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4 MM Mysinger, DR Weiss, JJ Ziarek, S Gravel, AK Doak, J Karpiak, ... Proceedings of the National Academy of Sciences 109 (14), 5517-5522, 2012 | 167 | 2012 |
| Millisecond dynamics of RNA polymerase II translocation at atomic resolution DA Silva, DR Weiss, F Pardo Avila, LT Da, M Levitt, D Wang, X Huang Proceedings of the National Academy of Sciences 111 (21), 7665-7670, 2014 | 162 | 2014 |
| Can morphing methods predict intermediate structures? DR Weiss, M Levitt Journal of molecular biology 385 (2), 665-674, 2009 | 137 | 2009 |
| Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor DR Weiss, SK Ahn, MF Sassano, A Kleist, X Zhu, R Strachan, BL Roth, ... ACS chemical biology 8 (5), 1018-1026, 2013 | 117 | 2013 |
| High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks JS Mason, A Bortolato, DR Weiss, F Deflorian, B Tehan, FH Marshall In Silico Pharmacology 1 (1), 23, 2013 | 86 | 2013 |
| RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription X Huang, D Wang, DR Weiss, DA Bushnell, RD Kornberg, M Levitt Proceedings of the National Academy of Sciences 107 (36), 15745-15750, 2010 | 82 | 2010 |
| Muscarinic receptors as model targets and antitargets for structure-based ligand discovery AC Kruse, DR Weiss, M Rossi, J Hu, K Hu, K Eitel, P Gmeiner, J Wess, ... Molecular pharmacology 84 (4), 528-540, 2013 | 78 | 2013 |
| Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor M Korczynska, MJ Clark, C Valant, J Xu, EV Moo, S Albold, DR Weiss, ... Proceedings of the National Academy of Sciences 115 (10), E2419-E2428, 2018 | 66 | 2018 |
| How hydrophobic buckminsterfullerene affects surrounding water structure DR Weiss, TM Raschke, M Levitt The Journal of Physical Chemistry B 112 (10), 2981-2990, 2008 | 66 | 2008 |
| Decoding the Role of Water Dynamics in Ligand–Protein Unbinding: CRF1R as a Test Case A Bortolato, F Deflorian, DR Weiss, JS Mason Journal of chemical information and modeling 55 (9), 1857-1866, 2015 | 62 | 2015 |
| Optimized Torsion-Angle Normal Modes Reproduce Conformational Changes More Accurately Than Cartesian Modes JK Bray, DR Weiss, M Levitt Biophysical journal 101 (12), 2966, 2011 | 54 | 2011 |
| Selective negative allosteric modulation of metabotropic glutamate receptors–a structural perspective of ligands and mutants K Harpsøe, V Isberg, BG Tehan, D Weiss, A Arsova, FH Marshall, ... Scientific reports 5 (1), 13869, 2015 | 45 | 2015 |
| Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets DR Weiss, J Karpiak, XP Huang, MF Sassano, J Lyu, BL Roth, ... Journal of medicinal chemistry 61 (15), 6830-6845, 2018 | 37 | 2018 |
| Structures of mGluRs shed light on the challenges of drug development of allosteric modulators KA Bennett, AS Doré, JA Christopher, DR Weiss, FH Marshall Current Opinion in Pharmacology 20, 1-7, 2015 | 34 | 2015 |
| GPCR-Bench: A Benchmarking Set and Practitioners’ Guide for G Protein-Coupled Receptor Docking DR Weiss, A Bortolato, B Tehan, JS Mason Journal of chemical information and modeling 56 (4), 642-651, 2016 | 30 | 2016 |
| SAMPL4 & DOCK3. 7: lessons for automated docking procedures RG Coleman, T Sterling, DR Weiss Journal of computer-aided molecular design 28, 201-209, 2014 | 30 | 2014 |
| Morphing methods to visualize coarse-grained protein dynamics DR Weiss, P Koehl Protein Dynamics: Methods and Protocols, 271-282, 2014 | 6 | 2014 |
| On ternary complex stability in protein degradation: In silico molecular glue binding affinity calculations DR Weiss, A Bortolato, Y Sun, X Cai, C Lai, S Guo, L Shi, ... Journal of Chemical Information and Modeling 63 (8), 2382-2392, 2023 | 4 | 2023 |
| The rise of targeting chimeras (TACs): next-generation medicines that preempt cellular events S Hollingsworth, S Johnson, P Khakbaz, Y Meng, V Mouchlis, O Pierce, ... Medicinal Chemistry Research, 1-21, 2023 | 1 | 2023 |
| Challenges and opportunities in structure-based discovery for GPCR targets and antitargets J Karpiak, D Weiss, XP Huang, M Sassano, B Shoichet, B Roth ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
