| Publications | Product(s) Referenced | Publication Year | |
|---|---|---|---|
| "Structuring of Water in the New Generation Ionic Liquid - Comparative Experimental and Theoretical Study" Vraneš, M.; Armaković, S.; Tot, A.; Papović, S.; Zec, N.; Armaković, S.J.; Banić, N.; Abramović, B.; Gadžurić, S., The Journal of Chemical Thermodynamics, 2016, 93, 164 | MS Jaguar | 2016 | |
| "Influence of electron acceptors on the kinetics of metoprolol photocatalytic degradation in TiO2 suspension. A combined experimental and theoretical study" Armaković, S.J.; Armaković, S.; Finčur, N.L.; Šibul, F.; Vione, D.; Šetrajčić, J.P.; Abramović, B., RSC Advances, 2016, 5, 54589 | Desmond, MS Jaguar | 2016 | |
| "Catalytic Borylation of Methane" Smith, K.T.; Berritt, S.; González-Moreiras, M.; Ahn, S.; Smith, M.R.; Baik, M.-H.; Mindiola, D. J., Science, 2016, 351(6280), 1424 | MS Jaguar | 2016 | |
| "Selectivity for HCO2- over H2 in the Electrochemical Catalytic Reduction of CO2 by (POCOP)IrH2" Johnson, S.I.; Nielsen, R.J.; Goddard, W.A., ACS Catalysis, 2016, 6, 6362–6371 | MS Jaguar | 2016 | |
| "Understanding and Predicting the Orientation of Heteroleptic Phosphors in Organic Light-Emitting Materials" Jurow, M.J.; Mayr, C.; Schmidt, T.D.; Lampe, T.; Djurovich, P.I.; Brütting, W.; Thompson, M.E., Nature Materials, 2016, 15, 85 | MS Jaguar | 2016 | |
| "Synthesis and Characterization of Phosphorescent Cyclometalated Ir and Pt Heteroleptic Complexes Using Cyclophane-based Chelates" Batagoda, B.K.T.; Djurovich, P.I.; Bräse, S.; Thompson, M.E., Polyhedron, 2016, 116, 182-188 | MS Jaguar | 2016 | |
| ö | "Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation" Lenselink, E.B.; Louvel, J.; Forti, A.F.; van Veldhoven, J.P.D.; de Vries, H.; Mulder-Krieger, T.; McRobb, F.M.; Negri, A.; Goose, J.; Abel, R.; van Vlijmen, H.W.T.; Wang, L.; Harder, E.; Sherman, W.; IJzerman, A.P.; Beuming, T., ACS Omega, 2016, 1, 293-304 | Desmond, Prime, Protein Preparation Wizard, FEP+, WaterMap, PyMOL | 2016 |
| ö | "AutoQSAR: An Automated Machine Learning Tool for Best-Practice QSAR Modeling" Dixon, S.L.; Duan, J.; Smith, E.; Von Bargen, C.D.; Sherman, W.; Repasky, M.P., Future Med. Chem., 2016, 8 (15), 1825-1839 | LigPrep, Canvas, AutoQSAR | 2016 |
| "Design of Heteroleptic Ir Complexes with Horizontal Emitting Dipoles for Highly Efficient Organic Light-Emitting Diodes with an External Quantum Efficiency of 38%" Kim, K-H.; Ahn, E.S.; Huh, J-S.; Kim, Y-H.; Kim, J-J., Chem. Mater., 2016, 28(20), 7505–7510 | MS Jaguar | 2016 | |
| ö | "Relative Binding Free Energy Calculations Applied to Protein Homology Models" Cappel, D.; Hall, M.L.; Lenselink, E.B.; Beuming, T.; Qi, J.; Bradner, J.; Sherman, W., J. Chem. Inf. Model., 2016, 56 (12), 2388–2400 | Desmond, Glide, LigPrep, Prime, FEP+, OPLS3e | 2016 |
ö indicates papers (co)authored by Schrödinger scientist(s).