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 *

208 related articles for article (PubMed ID: 26614342)

  • 1. A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods.
    Korth M; Pitoňák M; Řezáč J; Hobza P
    J Chem Theory Comput; 2010 Jan; 6(1):344-52. PubMed ID: 26614342
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods.
    Řezáč J; Hobza P
    J Chem Theory Comput; 2012 Jan; 8(1):141-51. PubMed ID: 26592877
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes.
    Řezáč J; Fanfrlík J; Salahub D; Hobza P
    J Chem Theory Comput; 2009 Jul; 5(7):1749-60. PubMed ID: 26610000
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules.
    Korth M; Thiel W
    J Chem Theory Comput; 2011 Sep; 7(9):2929-36. PubMed ID: 26605482
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules.
    Morgado CA; McNamara JP; Hillier IH; Burton NA; Vincent MA
    J Chem Theory Comput; 2007 Sep; 3(5):1656-64. PubMed ID: 26627611
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.
    Dral PO; Wu X; Spörkel L; Koslowski A; Thiel W
    J Chem Theory Comput; 2016 Mar; 12(3):1097-120. PubMed ID: 26771261
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A New Empirical Correction to the AM1 Method for Macromolecular Complexes.
    Foster ME; Sohlberg K
    J Chem Theory Comput; 2010 Jul; 6(7):2153-66. PubMed ID: 26615942
    [TBL] [Abstract][Full Text] [Related]  

  • 9. OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application.
    Tuttle T; Thiel W
    Phys Chem Chem Phys; 2008 Apr; 10(16):2159-66. PubMed ID: 18404221
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The accuracy of quantum chemical methods for large noncovalent complexes.
    Sedlak R; Janowski T; Pitoňák M; Rezáč J; Pulay P; Hobza P
    J Chem Theory Comput; 2013 Aug; 9(8):3364-3374. PubMed ID: 24098094
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches.
    Li A; Muddana HS; Gilson MK
    J Chem Theory Comput; 2014 Apr; 10(4):1563-1575. PubMed ID: 24803867
    [TBL] [Abstract][Full Text] [Related]  

  • 12. AMBER empirical potential describes the geometry and energy of noncovalent halogen interactions better than advanced semiempirical quantum mechanical method PM6-DH2X.
    Ibrahim MA
    J Phys Chem B; 2012 Mar; 116(11):3659-69. PubMed ID: 22393912
    [TBL] [Abstract][Full Text] [Related]  

  • 13. QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians.
    Geerke DP; Thiel S; Thiel W; van Gunsteren WF
    Phys Chem Chem Phys; 2008 Jan; 10(2):297-302. PubMed ID: 18213415
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods.
    Kromann JC; Welford A; Christensen AS; Jensen JH
    ACS Omega; 2018 Apr; 3(4):4372-4377. PubMed ID: 31458662
    [TBL] [Abstract][Full Text] [Related]  

  • 15. SCC-DFTB Parametrization for Boron and Boranes.
    Grundkötter-Stock B; Bezugly V; Kunstmann J; Cuniberti G; Frauenheim T; Niehaus TA
    J Chem Theory Comput; 2012 Mar; 8(3):1153-63. PubMed ID: 26593373
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Description of halogen bonding in semiempirical quantum-mechanical and self-consistent charge density-functional tight-binding methods.
    Řezáč J
    J Comput Chem; 2019 Jun; 40(17):1633-1642. PubMed ID: 30941801
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A semiempirical approach to ligand-binding affinities: dependence on the Hamiltonian and corrections.
    Mikulskis P; Genheden S; Wichmann K; Ryde U
    J Comput Chem; 2012 May; 33(12):1179-89. PubMed ID: 22396176
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion corrections.
    Ma Z; Zhang Y; Tuckerman ME
    J Chem Phys; 2012 Jul; 137(4):044506. PubMed ID: 22852630
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules.
    McNamara JP; Hillier IH
    Phys Chem Chem Phys; 2007 May; 9(19):2362-70. PubMed ID: 17492099
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Looking at self-consistent-charge density functional tight binding from a semiempirical perspective.
    Otte N; Scholten M; Thiel W
    J Phys Chem A; 2007 Jul; 111(26):5751-5. PubMed ID: 17385847
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.