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 *

309 related articles for article (PubMed ID: 25080201)

  • 1. Towards the realization of ab initio dynamics at the speed of molecular mechanics: simulations with interpolated diabatic Hamiltonian.
    Park JW; Rhee YM
    Chemphyschem; 2014 Oct; 15(15):3183-93. PubMed ID: 25080201
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Constructing polyatomic potential energy surfaces by interpolating diabatic Hamiltonian matrices with demonstration on green fluorescent protein chromophore.
    Park JW; Rhee YM
    J Chem Phys; 2014 Apr; 140(16):164112. PubMed ID: 24784258
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct and indirect electron emission from the green fluorescent protein chromophore.
    Toker Y; Rahbek DB; Klaerke B; Bochenkova AV; Andersen LH
    Phys Rev Lett; 2012 Sep; 109(12):128101. PubMed ID: 23005990
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Diabatic Population Matrix Formalism for Performing Molecular Mechanics Style Simulations with Multiple Electronic States.
    Park JW; Rhee YM
    J Chem Theory Comput; 2014 Dec; 10(12):5238-53. PubMed ID: 26583208
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quasi-Diabatic Scheme for Nonadiabatic On-the-Fly Simulations.
    Zhou W; Mandal A; Huo P
    J Phys Chem Lett; 2019 Nov; 10(22):7062-7070. PubMed ID: 31665889
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.
    Makhov DV; Glover WJ; Martinez TJ; Shalashilin DV
    J Chem Phys; 2014 Aug; 141(5):054110. PubMed ID: 25106573
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics.
    Valero R; Truhlar DG
    J Phys Chem A; 2007 Sep; 111(35):8536-51. PubMed ID: 17691756
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The lineshape of the electronic spectrum of the green fluorescent protein chromophore, part II: solution phase.
    Avila Ferrer FJ; Davari MD; Morozov D; Groenhof G; Santoro F
    Chemphyschem; 2014 Oct; 15(15):3246-57. PubMed ID: 25234514
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.
    Cui G; Thiel W
    J Chem Phys; 2014 Sep; 141(12):124101. PubMed ID: 25273406
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems.
    Xie BB; Jia PK; Wang KX; Chen WK; Liu XY; Cui G
    J Phys Chem A; 2022 Mar; 126(11):1789-1804. PubMed ID: 35266391
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution.
    Guo X; Zhao Y; Cao Z
    Phys Chem Chem Phys; 2014 Aug; 16(29):15381-8. PubMed ID: 24945346
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster.
    Mukherjee S; Bandyopadhyay S; Paul AK; Adhikari S
    J Phys Chem A; 2013 Apr; 117(16):3475-95. PubMed ID: 23521047
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Interpolated mechanics-molecular mechanics study of internal rotation dynamics of the chromophore unit in blue fluorescent protein and its variants.
    Park JW; Rhee YM
    J Phys Chem B; 2012 Sep; 116(36):11137-47. PubMed ID: 22891786
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ultrafast
    Gao A; Wang M; Ding J
    J Chem Phys; 2018 Aug; 149(7):074304. PubMed ID: 30134672
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems.
    Send R; Kaila VR; Sundholm D
    J Chem Phys; 2011 Jun; 134(21):214114. PubMed ID: 21663351
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Communication: Autodetachment versus internal conversion from the S1 state of the isolated GFP chromophore anion.
    West CW; Hudson AS; Cobb SL; Verlet JR
    J Chem Phys; 2013 Aug; 139(7):071104. PubMed ID: 23968065
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Looking at the Green Fluorescent Protein (GFP) chromophore from a different perspective: a computational insight.
    Paul BK; Guchhait N
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Feb; 103():295-303. PubMed ID: 23261626
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.