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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
Material Type: Artigo
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PRosettaC: Rosetta Based Modeling of PROTAC Mediated Ternary ComplexesZaidman, Daniel ; Prilusky, Jaime ; London, NirJournal of chemical information and modeling, 2020-10, Vol.60 (10), p.4894-4903 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 2 |
Material Type: Artigo
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ASEDock-Docking Based on Alpha Spheres and Excluded VolumesGoto, Junichi ; Kataoka, Ryoichi ; Muta, Hajime ; Hirayama, NoriakiJournal of chemical information and modeling, 2008-03, Vol.48 (3), p.583-590 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 3 |
Material Type: Artigo
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AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python BindingsEberhardt, Jerome ; Santos-Martins, Diogo ; Tillack, Andreas F ; Forli, StefanoJournal of chemical information and modeling, 2021-08, Vol.61 (8), p.3891-3898 [Periódico revisado por pares]Washington: American Chemical SocietyTexto completo disponível |
| 4 |
Material Type: Artigo
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New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences CommunityPritchard, Benjamin P ; Altarawy, Doaa ; Didier, Brett ; Gibson, Tara D ; Windus, Theresa LJournal of chemical information and modeling, 2019-11, Vol.59 (11), p.4814-4820 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 5 |
Material Type: Artigo
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Analyzing Learned Molecular Representations for Property PredictionYang, Kevin ; Swanson, Kyle ; Jin, Wengong ; Coley, Connor ; Eiden, Philipp ; Gao, Hua ; Guzman-Perez, Angel ; Hopper, Timothy ; Kelley, Brian ; Mathea, Miriam ; Palmer, Andrew ; Settels, Volker ; Jaakkola, Tommi ; Jensen, Klavs ; Barzilay, ReginaJournal of chemical information and modeling, 2019-08, Vol.59 (8), p.3370-3388 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 6 |
Material Type: Artigo
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Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery ProjectsSchindler, Christina E. M ; Baumann, Hannah ; Blum, Andreas ; Böse, Dietrich ; Buchstaller, Hans-Peter ; Burgdorf, Lars ; Cappel, Daniel ; Chekler, Eugene ; Czodrowski, Paul ; Dorsch, Dieter ; Eguida, Merveille K. I ; Follows, Bruce ; Fuchß, Thomas ; Grädler, Ulrich ; Gunera, Jakub ; Johnson, Theresa ; Jorand Lebrun, Catherine ; Karra, Srinivasa ; Klein, Markus ; Knehans, Tim ; Koetzner, Lisa ; Krier, Mireille ; Leiendecker, Matthias ; Leuthner, Birgitta ; Li, Liwei ; Mochalkin, Igor ; Musil, Djordje ; Neagu, Constantin ; Rippmann, Friedrich ; Schiemann, Kai ; Schulz, Robert ; Steinbrecher, Thomas ; Tanzer, Eva-Maria ; Unzue Lopez, Andrea ; Viacava Follis, Ariele ; Wegener, Ansgar ; Kuhn, DanielJournal of chemical information and modeling, 2020-11, Vol.60 (11), p.5457-5474 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 7 |
Material Type: Artigo
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ZINC20A Free Ultralarge-Scale Chemical Database for Ligand DiscoveryIrwin, John J ; Tang, Khanh G ; Young, Jennifer ; Dandarchuluun, Chinzorig ; Wong, Benjamin R ; Khurelbaatar, Munkhzul ; Moroz, Yurii S ; Mayfield, John ; Sayle, Roger AJournal of chemical information and modeling, 2020-12, Vol.60 (12), p.6065-6073 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 8 |
Material Type: Artigo
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Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody ResistanceChen, Jiahui ; Wang, Rui ; Gilby, Nancy Benovich ; Wei, Guo-WeiJournal of chemical information and modeling, 2022-01, Vol.62 (2), p.412-422 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 9 |
Material Type: Artigo
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Mesoporous mixed CuCo oxides as robust catalysts for liquid-phase furfural hydrogenationNguyen-Huy, Chinh ; Lee, Hojeong ; Lee, Jihyeon ; Kwak, Ja Hun ; An, KwangjinApplied catalysis. A, General, 2019-02, Vol.571, p.118-126 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
| 10 |
Material Type: Artigo
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From mass to structure: an aromaticity index for high-resolution mass data of natural organic matterKoch, B. P. ; Dittmar, T.Rapid communications in mass spectrometry, 2016-01, Vol.30 (1), p.250-250 [Periódico revisado por pares]Bognor Regis: Blackwell Publishing LtdTexto completo disponível |
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