Publications
| ö | "Atomic Layer Deposition of Localized Boron- and Hydrogen-Doped Aluminum Oxide Using Trimethyl Borate as a Dopant Precursor" Mattelaer, F.; Van Daele, M.; Minjauw, M.M.; Nisula, M.; Elliott, S.D.; Sajavaara, T.; Dendooven, J.; Detavernier, C., Chem. Mater., 2020, 32 (10), 4152–4165 | Jaguar | 2020 |
| ö | "Self-Limiting Temperature Window for Thermal Atomic Layer Etching of HfO2 and ZrO2 Based on the Atomic-Scale Mechanism" Mullins, R.; Natarajan, S.K.; Elliott, S.D.; Nolan, M., Chem. Mater., 2020, 32(8), 3414-3426 | 2020 | |
| "Rigid indolocarbazole donor moiety for highly efficient thermally activated delayed fluorescent device" Maeng J.H.; Ahn D.H.; Lee H.; Jung Y.H.; Karthik D.; Lee J.Y.; Kwon J.H., Dyes and Pigments, 2020, 180, 108485 | 2020 | ||
| "Rigid Oxygen-Bridged Boron-Based Blue Thermally Activated Delayed Fluorescence Emitter for Organic Light-Emitting Diode: Approach towards Satisfying High Efficiency and Long Lifetime Together" Ahn, D.H.; Maeng, J.H.; Lee, H.; Yoo, H.; Lampande, R.; Lee, J.Y.; Kwon, J.H., Advance Optical Materials, 2020, 8(11), 102 | 2020 | ||
| ö | "GemSpot: A Pipeline for Robust Modeling of Ligands into Cryo-EM Maps" Robertson, M.J.; van Zundert, G.C.P.; Borrelli, K.; Skiniotis, G., Structure, 2020, 28(6), 707-716.e3 | Glide | 2020 |
| "Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis" Paulsen, J.L.; Yu, H.S.; Sindhikara, D.; Wang, L.; Appleby, T.C.; Villaseñor, A.G.; Schmitz, U.; Shivakumar, D., J. Chem. Inf. Model., 2020, 60 (7), 3489–3498 | FEP+, Macrocycles | 2020 | |
| "Controllable Singlet-Triplet Energy Splitting of Graphene Quantum Dots through Oxidation: From Phosphorescence to TADF" Park, M.; Kim, H.S.; Yoon, H.; Kim, J.; Lee, S.; Yoo, S.; Jeon, S., Advanced Materials, 2020, XXX, XXX-XXX | MS Jaguar | 2020 | |
| ö | "Digitalisierung: molekulares Design plattformisieren" Scarbath-Evers, K.; Cappel, D.; Weiser, J., Nachrichten aus der Chemie, 2020, Jul (68), 34-36 | LiveDesign®, FEP+, AutoQSAR | 2020 |
| "Novel, Self-Assembling Dimeric Inhibitors of Human v Tryptase" Giardina, S.F.; Werner, D.S.; Pingle, M.; Feinberg, P.B.; Foreman, K.W.; Bergstrom, D.E.; Arnold, L.D.; Barany, F., J. Med. Chem., 2020, 63(6), 3004–3027 | LigPrep, Maestro, Protein Preparation Wizard, OPLS4 | 2020 | |
| "Toward in vivo-relevant hERG safety assessment and mitigation strategies based on relationships between non-equilibrium blocker binding, three-dimensional channel-blocker interactions, dynamic occupancy, dynamic exposure, and cellular arrhythmia" Wan, H.; Selvaggio, G.; Pearlstein, R.A., BioRxiv, 2020, Preprint, XXX-XXX | LigPrep, MacroModel, SiteMap | 2020 |
ö indicates papers (co)authored by Schrödinger scientist(s).