| Publications | Product(s) Referenced | Publication Year | |
|---|---|---|---|
| ö | "Multifaceted Peptide Assisted One-Pot Synthesis of Gold Nanoparticles for Plectin-1 Targeted Gemcitabine Delivery in Pancreatic Cancer" Krishnendu, P.; Al-suraih, F.; Gonzalez-Rodriguez, G.; Dutta, S.K.; Wang, E.; Kwak, H.S.; Caulfield, T.R.; Coffer, J.L.; Bhattacharya, S., Nanoscale, 2017, 9, 15622-15634 | Desmond, OPLS3e | 2017 |
| "Benchmarking Commercial Conformer Ensemble Generators" Friedrich, N.; de Bruyn Kops, C.; Flachsenberg F.; Sommer, K.; Rarey, M.; Kirchmair, J., J. Chem. Inf. Model., 2017, Article ASAP, DOI: 10.1021/acs.jcim.7b00505 | ConfGen | 2017 | |
| "Unraveling the Orientation of Phosphors Doped in Organic Semiconducting Layers" Moon, C.; Kim, K.; Kim, J., Nature Communications, 2017, 8, 791 | Desmond, MS Jaguar | 2017 | |
| "Synthesis, characterization and computational study of the newly synthesized sulfonamide molecule" Potla, K.; Suneetha, V.; Armaković, S.; Armaković, S.; Suchetan, P.A.; Giri, L.; Sreenivasa, R., J. Molec. Struct., 2017, 1153, 212-229 | Desmond, MS Jaguar | 2017 | |
| "Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative" Menon, V.; Sheena, Y.; Shyma, M.; Panicker, C.Y.; Bielenica, A.; Armaković, S.; Armaković, S.; Alsenoy, C., J. Molec. Struct., 2017, 1155, 184-195 | Desmond, MS Jaguar | 2017 | |
| "Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives" El-Azab, A.; Mary, Y.; Abdel-Aziz, A.; Miniyar, P.; Armaković, S.; Armaković, S., J. Molec. Struct., 2017, 1155, 184-195 | Desmond, MS Jaguar | 2017 | |
| "A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene - A frequently used benzene derivative" Venkatesh, V.; Govindaraju, M.; Venkatesh, G.; Kamal, C.; Mary, Y.; Panicker, C.; Kaya, S.; Armaković, S.; Armaković, S., J. Molec. Struct., 2017, 1151, 245-55 | MS Jaguar | 2017 | |
| "Synthesis and characterization of phosphorescent isomeric iridium complexes with a rigid cyclometalating ligand" Wei, W.; Lima, S.A.M.; Djurovich, P.; Bossi, A.; Whited, M.; Thompson, M., Polyhedron, 2017, 140, 138-145 | MS Jaguar | 2017 | |
| ö | "Automated Transition State Search and Its Application to Diverse Types of Organic Reactions" Jacobson, L., Bochevarov, A., Watson, M., Hughes, T., Rinado, D., Ehrlich, S., Steinbrecher, T., Vaitheeswaran, S., Philipp, D., Halls, M., Friesner, R., J. Chem. Theory Comput., 2017, 13 (11), 5780–5797 | Jaguar, MS Jaguar | 2017 |
| "Exploring the enantiorecognition mechanism of Cinchona alkaloid-based zwitterionic chiral stationary phases and the basic trans-paroxetine enantiomers" Sardella, R.; Macchiarulo, A.; Urbinati, F.; Ianni, F.; Carotti, A.; Kohout, M.; Lindner, W.; Péter, A.; Ilisz, I., J. Sep. Sci., 2017, 41(6), 1199-1207 | Desmond | 2017 |
ö indicates papers (co)authored by Schrödinger scientist(s).