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 *

165 related articles for article (PubMed ID: 38474554)

  • 1. Probing Non-Covalent Interactions through Molecular Balances: A REG-IQA Study.
    Falcioni F; Bennett S; Stroer-Jarvis P; Popelier PLA
    Molecules; 2024 Feb; 29(5):. PubMed ID: 38474554
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study.
    Orangi N; Eskandari K; Thacker JCR; Popelier PLA
    Chemphyschem; 2019 Aug; 20(15):1922-1930. PubMed ID: 31136067
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation.
    Alkorta I; Silva AF; Popelier PLA
    Molecules; 2020 Jun; 25(11):. PubMed ID: 32526931
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The IQA Energy Partition in a Drug Design Setting: A Hepatitis C Virus RNA-Dependent RNA Polymerase (NS5B) Case Study.
    Zapata-Acevedo CA; Popelier PLA
    Pharmaceuticals (Basel); 2022 Oct; 15(10):. PubMed ID: 36297349
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A combined BET and IQA-REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions.
    Ríos-Gutiérrez M; Falcioni F; Domingo LR; Popelier PLA
    Phys Chem Chem Phys; 2023 Apr; 25(15):10853-10865. PubMed ID: 37013716
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Non-covalent interactions from a Quantum Chemical Topology perspective.
    Popelier PLA
    J Mol Model; 2022 Aug; 28(9):276. PubMed ID: 36006513
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A relative energy gradient (REG) study of the planar and perpendicular torsional energy barriers in biphenyl.
    Popelier PLA; Maxwell PI; Thacker JCR; Alkorta I
    Theor Chem Acc; 2019; 138(1):12. PubMed ID: 30872951
    [TBL] [Abstract][Full Text] [Related]  

  • 8. How to Compute Atomistic Insight in DFT Clusters: The REG-IQA Approach.
    Falcioni F; Popelier PLA
    J Chem Inf Model; 2023 Jul; 63(14):4312-4327. PubMed ID: 37428724
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Interacting Quantum Atoms and Multipolar Electrostatic Study of XH···π Interactions.
    Triestram L; Falcioni F; Popelier PLA
    ACS Omega; 2023 Sep; 8(38):34844-34851. PubMed ID: 37779962
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect.
    Khan D; Duarte LJ; Popelier PLA
    Molecules; 2022 Aug; 27(15):. PubMed ID: 35956954
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The ANANKE relative energy gradient (REG) method to automate IQA analysis over configurational change.
    Thacker JCR; Popelier PLA
    Theor Chem Acc; 2017; 136(7):86. PubMed ID: 32025197
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Exploring the influence of metal cations on individual hydrogen bonds in Watson-Crick guanine-cytosine DNA base pair: An interacting quantum atoms analysis.
    Pakzad F; Eskandari K
    J Comput Chem; 2024 Jun; ():. PubMed ID: 38922952
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electrostatics Explains the Reverse Lewis Acidity of BH
    Duarte LJ; Richter WE; Bruns RE; Popelier PLA
    J Phys Chem A; 2021 Oct; 125(39):8615-8625. PubMed ID: 34549960
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-Hydrogen-Bond Datasets for Noncovalent Interactions.
    Suárez D; Díaz N; Francisco E; Martín Pendás A
    Chemphyschem; 2018 Apr; 19(8):973-987. PubMed ID: 29356250
    [TBL] [Abstract][Full Text] [Related]  

  • 15. On the non-classical contribution in lone-pair-π interaction: IQA perspective.
    Badri Z; Foroutan-Nejad C; Kozelka J; Marek R
    Phys Chem Chem Phys; 2015 Oct; 17(39):26183-90. PubMed ID: 26381704
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Fluorine Gauche Effect Explained by Electrostatic Polarization Instead of Hyperconjugation: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study.
    Thacker JCR; Popelier PLA
    J Phys Chem A; 2018 Feb; 122(5):1439-1450. PubMed ID: 29381361
    [TBL] [Abstract][Full Text] [Related]  

  • 17. MP2-IQA: upscaling the analysis of topologically partitioned electron correlation.
    Silva AF; Popelier PLA
    J Mol Model; 2018 Jul; 24(8):201. PubMed ID: 29995194
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Towards an atomistic understanding of polymorphism in molecular solids.
    la Vega AS; Duarte LJ; Silva AF; Skelton JM; Rocha-Rinza T; Popelier PLA
    Phys Chem Chem Phys; 2022 May; 24(18):11278-11294. PubMed ID: 35481948
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms.
    Duarte LJ; Bruns RE
    J Phys Chem A; 2022 Dec; 126(48):8945-8954. PubMed ID: 36417362
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach.
    Guevara-Vela JM; Chávez-Calvillo R; García-Revilla M; Hernández-Trujillo J; Christiansen O; Francisco E; Martín Pendás A; Rocha-Rinza T
    Chemistry; 2013 Oct; 19(42):14304-15. PubMed ID: 24038387
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.