These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

123 related articles for article (PubMed ID: 38047817)

  • 1. Toward in silico Catalyst Optimization.
    Wodrich MD; Laplaza R; Cramer N; Reiher M; Corminboeuf C
    Chimia (Aarau); 2023 Mar; 77(3):139-143. PubMed ID: 38047817
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules.
    Sobez JG; Reiher M
    J Chem Inf Model; 2020 Aug; 60(8):3884-3900. PubMed ID: 32610018
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The (not so) simple prediction of enantioselectivity - a pipeline for high-fidelity computations.
    Laplaza R; Sobez JG; Wodrich MD; Reiher M; Corminboeuf C
    Chem Sci; 2022 Jun; 13(23):6858-6864. PubMed ID: 35774159
    [TBL] [Abstract][Full Text] [Related]  

  • 4. ReNeGate: A Reaction Network Graph-Theoretical Tool for Automated Mechanistic Studies in Computational Homogeneous Catalysis.
    Hashemi A; Bougueroua S; Gaigeot MP; Pidko EA
    J Chem Theory Comput; 2022 Dec; 18(12):7470-7482. PubMed ID: 36321652
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Synthetic and computational assessment of a chiral metal-organic framework catalyst for predictive asymmetric transformation.
    Canivet J; Bernoud E; Bonnefoy J; Legrand A; Todorova TK; Quadrelli EA; Mellot-Draznieks C
    Chem Sci; 2020 Aug; 11(33):8800-8808. PubMed ID: 34123133
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts.
    Zankov D; Madzhidov T; Polishchuk P; Sidorov P; Varnek A
    J Chem Inf Model; 2023 Nov; 63(21):6629-6641. PubMed ID: 37902548
    [TBL] [Abstract][Full Text] [Related]  

  • 7. New Insights and Predictions into Complex Homogeneous Reactions Enabled by Computational Chemistry in Synergy with Experiments: Isotopes and Mechanisms.
    Lan J; Li X; Yang Y; Zhang X; Chung LW
    Acc Chem Res; 2022 Apr; 55(8):1109-1123. PubMed ID: 35385649
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Building a Toolbox for the Analysis and Prediction of Ligand and Catalyst Effects in Organometallic Catalysis.
    Durand DJ; Fey N
    Acc Chem Res; 2021 Feb; 54(4):837-848. PubMed ID: 33533587
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces.
    Zhang Z; Zandkarimi B; Alexandrova AN
    Acc Chem Res; 2020 Feb; 53(2):447-458. PubMed ID: 31977181
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Paving the road towards automated homogeneous catalyst design.
    Kalikadien AV; Mirza A; Hossaini AN; Sreenithya A; Pidko EA
    Chempluschem; 2024 Jul; 89(7):e202300702. PubMed ID: 38279609
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular Modeling for Artificial Metalloenzyme Design and Optimization.
    Alonso-Cotchico L; Rodrı Guez-Guerra J; Lledós A; Maréchal JD
    Acc Chem Res; 2020 Apr; 53(4):896-905. PubMed ID: 32233391
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.
    Vogiatzis KD; Polynski MV; Kirkland JK; Townsend J; Hashemi A; Liu C; Pidko EA
    Chem Rev; 2019 Feb; 119(4):2453-2523. PubMed ID: 30376310
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Supported Dendrimer-Encapsulated Metal Clusters: Toward Heterogenizing Homogeneous Catalysts.
    Ye R; Zhukhovitskiy AV; Deraedt CV; Toste FD; Somorjai GA
    Acc Chem Res; 2017 Aug; 50(8):1894-1901. PubMed ID: 28704031
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Asymmetric epoxidation of cis/trans-β-methylstyrene catalysed by immobilised Mn(salen) with different linkages: heterogenisation of homogeneous asymmetric catalysis.
    Zhang H; Zou Y; Wang YM; Shen Y; Zheng X
    Chemistry; 2014 Jun; 20(25):7830-41. PubMed ID: 24862233
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Computational rationalization of the dependence of the enantioselectivity on the nature of the catalyst in the vanadium-catalyzed oxidation of sulfides by hydrogen peroxide.
    Balcells D; Maseras F; Ujaque G
    J Am Chem Soc; 2005 Mar; 127(10):3624-34. PubMed ID: 15755184
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Highly Enantioselective Synthesis of Pharmaceuticals at Chiral-Encoded Metal Surfaces.
    Somsri S; Suwankaisorn B; Yomthong K; Srisuwanno W; Klinyod S; Kuhn A; Wattanakit C
    Chemistry; 2023 Nov; 29(61):e202302054. PubMed ID: 37555292
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Mass Spectrometric Back Reaction Screening of Quasi-Enantiomeric Products as a Mechanistic Tool.
    Isenegger PG; Pfaltz A
    Chem Rec; 2016 Dec; 16(6):2534-2543. PubMed ID: 27417883
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Design, Synthesis, and Application of Chiral Bicyclic Imidazole Catalysts.
    Wang M; Zhang Z; Zhang W
    Acc Chem Res; 2022 Sep; 55(18):2708-2727. PubMed ID: 36043467
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Progress in base-metal water oxidation catalysis.
    Parent AR; Sakai K
    ChemSusChem; 2014 Aug; 7(8):2070-80. PubMed ID: 25066264
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization.
    Terayama K; Sumita M; Katouda M; Tsuda K; Okuno Y
    J Chem Theory Comput; 2021 Aug; 17(8):5419-5427. PubMed ID: 34261321
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.