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 *

114 related articles for article (PubMed ID: 37902415)

  • 1. Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids.
    Pezzola S; Venanzi M; Galloni P; Conte V; Sabuzi F
    Chemistry; 2024 Jan; 30(1):e202303167. PubMed ID: 37902415
    [TBL] [Abstract][Full Text] [Related]  

  • 2. New Insights in the Computational pKb Determination of Primary Amines and Anilines.
    Pezzola S; Venanzi M; Conte V; Sabuzi F; Galloni P
    Chemphyschem; 2024 Sep; 25(17):e202400550. PubMed ID: 38798156
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Towards the "Eldorado" of pKa Determination: A Reliable and Rapid DFT Model.
    Pezzola S; Venanzi M; Galloni P; Conte V; Sabuzi F
    Molecules; 2024 Mar; 29(6):. PubMed ID: 38542892
    [TBL] [Abstract][Full Text] [Related]  

  • 4. An Accurate Approach for Computational pKa Determination of Phenolic Compounds.
    Pezzola S; Tarallo S; Iannini A; Venanzi M; Galloni P; Conte V; Sabuzi F
    Molecules; 2022 Dec; 27(23):. PubMed ID: 36500683
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Assessment of p
    de Souza Silva C; Custodio R
    J Phys Chem A; 2019 Sep; 123(38):8314-8320. PubMed ID: 31483652
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accurate pKa determination for a heterogeneous group of organic molecules.
    Schmidt am Busch M; Knapp EW
    Chemphyschem; 2004 Oct; 5(10):1513-22. PubMed ID: 15535550
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Density Functional Theory Calculation of pKa's of Thiols in Aqueous Solution Using Explicit Water Molecules and the Polarizable Continuum Model.
    Thapa B; Schlegel HB
    J Phys Chem A; 2016 Jul; 120(28):5726-35. PubMed ID: 27327957
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Improved pK
    Thapa B; Schlegel HB
    J Phys Chem A; 2017 Jun; 121(24):4698-4706. PubMed ID: 28564543
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p
    Mirzaei S; Ivanov MV; Timerghazin QK
    J Phys Chem A; 2019 Nov; 123(44):9498-9504. PubMed ID: 31318553
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate acid dissociation constant (pK
    Carvalho FM; Só YAO; Wernik ASK; Silva MA; Gargano R
    J Mol Model; 2021 Jul; 27(8):233. PubMed ID: 34324066
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?
    Liang G; DeYonker NJ; Zhao X; Webster CE
    J Comput Chem; 2017 Oct; 38(28):2430-2438. PubMed ID: 28800152
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical Calculation of pK
    Thapa B; Schlegel HB
    J Phys Chem A; 2016 Nov; 120(44):8916-8922. PubMed ID: 27748600
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Toward the accurate calculation of pKa values in water and acetonitrile.
    Muckerman JT; Skone JH; Ning M; Wasada-Tsutsui Y
    Biochim Biophys Acta; 2013; 1827(8-9):882-91. PubMed ID: 23567870
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Assessment of Methodology and Chemical Group Dependences in the Calculation of the pK
    Matsui T; Shigeta Y; Morihashi K
    J Chem Theory Comput; 2017 Oct; 13(10):4791-4803. PubMed ID: 28862859
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Determination of Amino Acids' p
    Šebesta F; Sovová Ž; Burda JV
    J Phys Chem B; 2024 Feb; 128(7):1627-1637. PubMed ID: 38345944
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Methods To Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous p
    Xu L; Coote ML
    J Phys Chem A; 2019 Aug; 123(34):7430-7438. PubMed ID: 31382743
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases.
    Psciuk BT; Lord RL; Munk BH; Schlegel HB
    J Chem Theory Comput; 2012 Dec; 8(12):5107-23. PubMed ID: 26593200
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the Accuracy of the Direct Method to Calculate p
    Dutra FR; Silva CS; Custodio R
    J Phys Chem A; 2021 Jan; 125(1):65-73. PubMed ID: 33356255
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DFT-Machine Learning Approach for Accurate Prediction of p
    Lawler R; Liu YH; Majaya N; Allam O; Ju H; Kim JY; Jang SS
    J Phys Chem A; 2021 Oct; 125(39):8712-8722. PubMed ID: 34554744
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Absolute and relative pK
    Zeng Q; Jones MR; Brooks BR
    J Comput Aided Mol Des; 2018 Oct; 32(10):1179-1189. PubMed ID: 30128926
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.