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 *

158 related articles for article (PubMed ID: 32087645)

  • 21. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition.
    Parrish RM; Sherrill CD
    J Chem Phys; 2014 Jul; 141(4):044115. PubMed ID: 25084889
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Physical mechanisms of intermolecular interactions from symmetry-adapted perturbation theory.
    Szalewicz K; Jeziorski B
    J Mol Model; 2022 Aug; 28(9):273. PubMed ID: 36006512
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe-Salpeter equation.
    Holzer C; Klopper W
    J Chem Phys; 2017 Nov; 147(18):181101. PubMed ID: 29141433
    [TBL] [Abstract][Full Text] [Related]  

  • 24. A Simple Correction for Nonadditive Dispersion within Extended Symmetry-Adapted Perturbation Theory (XSAPT).
    Lao KU; Herbert JM
    J Chem Theory Comput; 2018 Oct; 14(10):5128-5142. PubMed ID: 30199632
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Accurate Intermolecular Potentials with Physically Grounded Electrostatics.
    Tafipolsky M; Engels B
    J Chem Theory Comput; 2011 Jun; 7(6):1791-803. PubMed ID: 26596442
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Determination of structure and properties of molecular crystals from first principles.
    Szalewicz K
    Acc Chem Res; 2014 Nov; 47(11):3266-74. PubMed ID: 25354310
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion.
    Carter-Fenk K; Lao KU; Liu KY; Herbert JM
    J Phys Chem Lett; 2019 Jun; 10(11):2706-2714. PubMed ID: 31063380
    [TBL] [Abstract][Full Text] [Related]  

  • 28. DFT-SAPT Intermolecular Interaction Energies Employing Exact-Exchange Kohn-Sham Response Methods.
    Heßelmann A
    J Chem Theory Comput; 2018 Apr; 14(4):1943-1959. PubMed ID: 29566325
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set.
    Flick JC; Kosenkov D; Hohenstein EG; Sherrill CD; Slipchenko LV
    J Chem Theory Comput; 2012 Aug; 8(8):2835-43. PubMed ID: 26592124
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: the XSAPT family of methods.
    Lao KU; Herbert JM
    J Phys Chem A; 2015 Jan; 119(2):235-52. PubMed ID: 25408114
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Intermolecular interactions in weak donor-acceptor complexes from symmetry-adapted perturbation and coupled-cluster theory: tetracyanoethylene-benzene and tetracyanoethylene-p-xylene.
    Kuchenbecker D; Jansen G
    Chemphyschem; 2012 Aug; 13(11):2769-76. PubMed ID: 22696390
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory.
    Herbert JM; Jacobson LD; Lao KU; Rohrdanz MA
    Phys Chem Chem Phys; 2012 Jun; 14(21):7679-99. PubMed ID: 22511183
    [TBL] [Abstract][Full Text] [Related]  

  • 33. An efficient, fragment-based electronic structure method for molecular systems: self-consistent polarization with perturbative two-body exchange and dispersion.
    Jacobson LD; Herbert JM
    J Chem Phys; 2011 Mar; 134(9):094118. PubMed ID: 21384961
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structure and Energetics of Complexes of B12N12 with Hydrogen Halides-SAPT(DFT) and MP2 Study.
    Yourdkhani S; Korona T; Hadipour NL
    J Phys Chem A; 2015 Jun; 119(24):6446-67. PubMed ID: 25973745
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Next-Generation Force Fields from Symmetry-Adapted Perturbation Theory.
    McDaniel JG; Schmidt JR
    Annu Rev Phys Chem; 2016 May; 67():467-88. PubMed ID: 27070322
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Energy component analysis of π interactions.
    Sherrill CD
    Acc Chem Res; 2013 Apr; 46(4):1020-8. PubMed ID: 23020662
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers.
    Malone FD; Parrish RM; Welden AR; Fox T; Degroote M; Kyoseva E; Moll N; Santagati R; Streif M
    Chem Sci; 2022 Mar; 13(11):3094-3108. PubMed ID: 35414867
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Theoretical study of the complexes of dichlorobenzene isomers with argon. II. SAPT analysis of the intermolecular interaction.
    Shirkov L; Makarewicz J
    J Chem Phys; 2019 Feb; 150(7):074302. PubMed ID: 30795670
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit.
    Řezáč J; Hobza P
    J Chem Theory Comput; 2011 Mar; 7(3):685-9. PubMed ID: 26596299
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions.
    Hohenstein EG; Parrish RM; Sherrill CD; Turney JM; Schaefer HF
    J Chem Phys; 2011 Nov; 135(17):174107. PubMed ID: 22070292
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.