Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
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
|
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
|
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
|
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 |
|
5 |
Material Type: Artigo
|
Membranes for redox flow battery applicationsPrifti, Helen ; Parasuraman, Aishwarya ; Winardi, Suminto ; Lim, Tuti Mariana ; Skyllas-Kazacos, MariaMembranes (Basel), 2012-06, Vol.2 (2), p.275-306 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
|
6 |
Material Type: Artigo
|
The Synthesizability of Molecules Proposed by Generative ModelsGao, Wenhao ; Coley, Connor WJournal of chemical information and modeling, 2020-12, Vol.60 (12), p.5714-5723 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
7 |
Material Type: Artigo
|
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 |
|
8 |
Material Type: Artigo
|
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 |
|
9 |
Material Type: Artigo
|
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 |
|
10 |
Material Type: Artigo
|
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 |