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 *

141 related articles for article (PubMed ID: 27723338)

  • 21. 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]  

  • 22. Predominance of the participation of the geminal over vicinal bonds: torquoselectivity of retro-Nazarov reactions.
    Naruse Y; Ichihashi Y; Shimizu T; Inagaki S
    Org Lett; 2012 Jul; 14(14):3728-31. PubMed ID: 22769432
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Unification of ground-state aromaticity criteria - structure, electron delocalization, and energy - in light of the quantum chemical topology.
    Badri Z; Foroutan-Nejad C
    Phys Chem Chem Phys; 2016 Apr; 18(17):11693-9. PubMed ID: 26678719
    [TBL] [Abstract][Full Text] [Related]  

  • 24. A bond path and an attractive Ehrenfest force do not necessarily indicate bonding interactions: case study on M2X2 (M = Li, Na, K; X = H, OH, F, Cl).
    Dem'yanov P; Polestshuk P
    Chemistry; 2012 Apr; 18(16):4982-93. PubMed ID: 22415967
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. On the importance of intramolecular hydrogen bond cooperativity in d-glucose - an NMR and QTAIM approach.
    Lomas JS; Joubert L
    Magn Reson Chem; 2017 Oct; 55(10):893-901. PubMed ID: 28432857
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Interacting Quantum Atoms:  A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules.
    Blanco MA; Martín Pendás A; Francisco E
    J Chem Theory Comput; 2005 Nov; 1(6):1096-109. PubMed ID: 26631653
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals.
    Matta CF; Hernández-Trujillo J; Tang TH; Bader RF
    Chemistry; 2003 May; 9(9):1940-51. PubMed ID: 12740840
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 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]  

  • 30. Bond paths between distant atoms do not necessarily indicate dominant interactions.
    Jabłoński M
    J Comput Chem; 2018 Oct; 39(26):2183-2195. PubMed ID: 30298926
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral Approach.
    Vincent MA; Silva AF; Popelier PLA
    J Comput Chem; 2019 Dec; 40(32):2793-2800. PubMed ID: 31373709
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. The nature of the hydrogen bond: a synthesis from the interacting quantum atoms picture.
    Martín Pendás A; Blanco MA; Francisco E
    J Chem Phys; 2006 Nov; 125(18):184112. PubMed ID: 17115743
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Cooperativity in alkane-1,2- and 1,3-polyols: NMR, QTAIM, and IQA study of O─H
    Lomas JS
    Magn Reson Chem; 2020 Jul; 58(7):666-684. PubMed ID: 32201981
    [TBL] [Abstract][Full Text] [Related]  

  • 35. 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]  

  • 36. Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM.
    Guo H; Morales-Bayuelo A; Xu T; Momen R; Wang L; Yang P; Kirk SR; Jenkins S
    J Comput Chem; 2016 Dec; 37(31):2722-2733. PubMed ID: 27709640
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Binding energies of first row diatomics in the light of the interacting quantum atoms approach.
    Pendás AM; Francisco E; Blanco MA
    J Phys Chem A; 2006 Nov; 110(47):12864-9. PubMed ID: 17125302
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Electron density characteristics in bond critical point (QTAIM) versus interaction energy components (SAPT): the case of charge-assisted hydrogen bonding.
    Bankiewicz B; Matczak P; Palusiak M
    J Phys Chem A; 2012 Jan; 116(1):452-9. PubMed ID: 22175651
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Using pseudopotentials within the interacting quantum atoms approach.
    Tiana D; Francisco E; Blanco MA; Pendás AM
    J Phys Chem A; 2009 Jul; 113(27):7963-71. PubMed ID: 19537696
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Energetic Analysis of Conjugated Hydrocarbons Using the Interacting Quantum Atoms Method.
    Jara-Cortés J; Hernández-Trujillo J
    J Comput Chem; 2018 Jul; 39(18):1103-1111. PubMed ID: 29076165
    [TBL] [Abstract][Full Text] [Related]  

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