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 *

123 related articles for article (PubMed ID: 35142207)

  • 41. FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
    Takaya D; Watanabe C; Nagase S; Kamisaka K; Okiyama Y; Moriwaki H; Yuki H; Sato T; Kurita N; Yagi Y; Takagi T; Kawashita N; Takaba K; Ozawa T; Takimoto-Kamimura M; Tanaka S; Fukuzawa K; Honma T
    J Chem Inf Model; 2021 Feb; 61(2):777-794. PubMed ID: 33511845
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Nonadiabatic Molecular Dynamics with Tight-Binding Fragment Molecular Orbitals.
    Akimov AV
    J Chem Theory Comput; 2016 Dec; 12(12):5719-5736. PubMed ID: 27951671
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital Method.
    Pruitt SR; Nakata H; Nagata T; Mayes M; Alexeev Y; Fletcher G; Fedorov DG; Kitaura K; Gordon MS
    J Chem Theory Comput; 2016 Apr; 12(4):1423-35. PubMed ID: 26913837
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.
    Chudyk EI; Sarrat L; Aldeghi M; Fedorov DG; Bodkin MJ; James T; Southey M; Robinson R; Morao I; Heifetz A
    Methods Mol Biol; 2018; 1705():179-195. PubMed ID: 29188563
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.
    Chen D; Chen Z; Wei GW
    Int J Numer Method Biomed Eng; 2012 Jan; 28(1):25-51. PubMed ID: 22328970
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methods.
    Steinmann C; Fedorov DG; Jensen JH
    J Phys Chem A; 2010 Aug; 114(33):8705-12. PubMed ID: 20446697
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Solvatochromic shifts of uracil and cytosine using a combined multireference configuration interaction/molecular dynamics approach and the fragment molecular orbital method.
    Kistler KA; Matsika S
    J Phys Chem A; 2009 Nov; 113(45):12396-403. PubMed ID: 19505083
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Interaction-component analysis of the hydration and urea effects on cytochrome c.
    Yamamori Y; Ishizuka R; Karino Y; Sakuraba S; Matubayasi N
    J Chem Phys; 2016 Feb; 144(8):085102. PubMed ID: 26931726
    [TBL] [Abstract][Full Text] [Related]  

  • 49. An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water.
    Takahashi H; Satou W; Hori T; Nitta T
    J Chem Phys; 2005 Jan; 122(4):44504. PubMed ID: 15740264
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies.
    Okiyama Y; Watanabe C; Fukuzawa K; Mochizuki Y; Nakano T; Tanaka S
    J Phys Chem B; 2019 Feb; 123(5):957-973. PubMed ID: 30532968
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Diffusion and aggregation of sodium fluorescein in aqueous solutions.
    Casalini T; Salvalaglio M; Perale G; Masi M; Cavallotti C
    J Phys Chem B; 2011 Nov; 115(44):12896-904. PubMed ID: 21957875
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories.
    Claudino D; Mayhall NJ
    J Chem Theory Comput; 2019 Feb; 15(2):1053-1064. PubMed ID: 30620604
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Analytic second derivatives of the energy in the fragment molecular orbital method.
    Nakata H; Nagata T; Fedorov DG; Yokojima S; Kitaura K; Nakamura S
    J Chem Phys; 2013 Apr; 138(16):164103. PubMed ID: 23635107
    [TBL] [Abstract][Full Text] [Related]  

  • 54. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method.
    Otsuka T; Okimoto N; Taiji M
    J Comput Chem; 2015 Nov; 36(30):2209-18. PubMed ID: 26400829
    [TBL] [Abstract][Full Text] [Related]  

  • 56. PEACH 4 with ABINIT-MP: a general platform for classical and quantum simulations of biological molecules.
    Komeiji Y; Inadomi Y; Nakano T
    Comput Biol Chem; 2004 Apr; 28(2):155-61. PubMed ID: 15185673
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical study.
    Sakata T; Kawashima Y; Nakano H
    J Chem Phys; 2011 Jan; 134(1):014501. PubMed ID: 21219001
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Rapid and accurate assessment of GPCR-ligand interactions Using the fragment molecular orbital-based density-functional tight-binding method.
    Morao I; Fedorov DG; Robinson R; Southey M; Townsend-Nicholson A; Bodkin MJ; Heifetz A
    J Comput Chem; 2017 Sep; 38(23):1987-1990. PubMed ID: 28675443
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Natural energy decomposition analysis: extension to density functional methods and analysis of cooperative effects in water clusters.
    Glendening ED
    J Phys Chem A; 2005 Dec; 109(51):11936-40. PubMed ID: 16366646
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Potential of Mean Force Calculations for an S
    Sánchez-Badillo J; Gallo M; Guirado-López RA; González-García R
    J Phys Chem B; 2020 May; 124(21):4338-4357. PubMed ID: 32352290
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.