Publications
| "Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization" Gentiluomo, L.; Svilenov, H.; Augustijn, D.; Bialy, I.; Greco, M.; et. al., Mol. Pharmaceutics, 2020, 17(2), 426-440 | 2020 | ||
| "Highland Games: A Benchmarking Exercise in Predicting Biophysical and Drug Properties of Monoclonal Antibodies from Amino Acid Sequences" Coffman, J.; Marques, B.; Orozco, R.; Aswath, M.; Mohammad, H.; et. al. , Biotechnology and Bioengineering, 2020, DOI: 10.1002/bit.27349, 1-16 | 2020 | ||
| "Ancillary Ligand Increases the Efficiency of Heteroleptic Ir-based Triplet Emitters in OLED Devices" Baek, S.-Y.; Kwak, S.-Y.; Kim, S.-T.; Hwang, K.Y.; Koo, H.; Son, W.-J.; Choi, B.; Kim, S.; Choi, H.; Baik, M.-H. , Nature Communications, 2020, 11, 2292 | MS Jaguar | 2020 | |
| "Investigating DNA Adduct Formation by Flavor Chemicals and Tobacco Byproducts in Electronic Nicotine Delivery System (ENDS) using in silico Approaches" Kang, J.(C.); Valerio Jr., L.G., Toxicology and Applied Pharmacology, 2020, 398, 115026 | Canvas | 2020 | |
| 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 |
ö indicates papers (co)authored by Schrödinger scientist(s).