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 *

119 related articles for article (PubMed ID: 35481948)

  • 1. 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]  

  • 2. 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]  

  • 3. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
    Foffi G; Pastore A; Piazza F; Temussi PA
    Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing.
    Panini P; Venugopala KN; Odhav B; Chopra D
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2014 Aug; 70(Pt 4):681-96. PubMed ID: 25080247
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Role of directed van der Waals bonded interactions in the determination of the structures of molecular arsenate solids.
    Gibbs GV; Wallace AF; Cox DF; Dove PM; Downs RT; Ross NL; Rosso KM
    J Phys Chem A; 2009 Jan; 113(4):736-49. PubMed ID: 19123777
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Atom-atom partitioning of total (super)molecular energy: the hidden terms of classical force fields.
    Rafat M; Popelier PL
    J Comput Chem; 2007 Jan; 28(1):292-301. PubMed ID: 17109431
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Conformational polymorphism in organic crystals.
    Nangia A
    Acc Chem Res; 2008 May; 41(5):595-604. PubMed ID: 18348538
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. Does the Intra-Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?
    Symons BCB; Williamson DJ; Brooks CM; Wilson AL; Popelier PLA
    ChemistryOpen; 2019 May; 8(5):560-570. PubMed ID: 31065506
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Transferable next-generation force fields from simple liquids to complex materials.
    Schmidt JR; Yu K; McDaniel JG
    Acc Chem Res; 2015 Mar; 48(3):548-56. PubMed ID: 25688596
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy.
    Jiménez-Grávalos F; Suárez D
    J Chem Theory Comput; 2021 Aug; 17(8):4981-4995. PubMed ID: 34279923
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Exponential Relationships Capturing Atomistic Short-Range Repulsion from the Interacting Quantum Atoms (IQA) Method.
    Wilson AL; Popelier PL
    J Phys Chem A; 2016 Dec; 120(48):9647-9659. PubMed ID: 27933917
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Partitioning a Molecule into the Atomic Basins and the Resultant Atomic Charges from Quantum Chemical Topology Analysis of the Kohn-Sham Potential.
    Zhao DX; Zhao J; Yang ZZ
    J Phys Chem A; 2020 Jun; 124(24):5023-5032. PubMed ID: 32423212
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.