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 *

167 related articles for article (PubMed ID: 39235048)

  • 1. FMOe: Preprocessing and Visualizing Package of the Fragment Molecular Orbital Method for Molecular Operating Environment and Its Applications in Covalent Ligand and Metalloprotein Analyses.
    Moriwaki H; Kawashima Y; Watanabe C; Kamisaka K; Okiyama Y; Fukuzawa K; Honma T
    J Chem Inf Model; 2024 Sep; 64(18):6927-6937. PubMed ID: 39235048
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Three- and four-body corrected fragment molecular orbital calculations with a novel subdividing fragmentation method applicable to structure-based drug design.
    Watanabe C; Fukuzawa K; Okiyama Y; Tsukamoto T; Kato A; Tanaka S; Mochizuki Y; Nakano T
    J Mol Graph Model; 2013 Apr; 41():31-42. PubMed ID: 23467020
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dynamic Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method.
    Tanaka S; Tokutomi S; Hatada R; Okuwaki K; Akisawa K; Fukuzawa K; Komeiji Y; Okiyama Y; Mochizuki Y
    J Phys Chem B; 2021 Jun; 125(24):6501-6512. PubMed ID: 34124906
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Protein-Protein Interaction Modelling with the Fragment Molecular Orbital Method.
    Tanaka S
    Methods Mol Biol; 2023; 2552():295-305. PubMed ID: 36346599
    [TBL] [Abstract][Full Text] [Related]  

  • 5. [Applications of the Fragment Molecular Orbital Method in Drug Discovery].
    Ishikawa T
    Yakugaku Zasshi; 2016; 136(1):121-30. PubMed ID: 26725679
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Femtomolar Zn(II) affinity in a peptide-based ligand designed to model thiolate-rich metalloprotein active sites.
    Petros AK; Reddi AR; Kennedy ML; Hyslop AG; Gibney BR
    Inorg Chem; 2006 Dec; 45(25):9941-58. PubMed ID: 17140191
    [TBL] [Abstract][Full Text] [Related]  

  • 7. VISCANA: visualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening.
    Amari S; Aizawa M; Zhang J; Fukuzawa K; Mochizuki Y; Iwasawa Y; Nakata K; Chuman H; Nakano T
    J Chem Inf Model; 2006; 46(1):221-30. PubMed ID: 16426058
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations.
    Handa Y; Okuwaki K; Kawashima Y; Hatada R; Mochizuki Y; Komeiji Y; Tanaka S; Furuishi T; Yonemochi E; Honma T; Fukuzawa K
    J Phys Chem B; 2024 Mar; 128(10):2249-2265. PubMed ID: 38437183
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Fragment quantum mechanical calculation of proteins and its applications.
    He X; Zhu T; Wang X; Liu J; Zhang JZ
    Acc Chem Res; 2014 Sep; 47(9):2748-57. PubMed ID: 24851673
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Towards good correlation between fragment molecular orbital interaction energies and experimental IC
    Sheng Y; Watanabe H; Maruyama K; Watanabe C; Okiyama Y; Honma T; Fukuzawa K; Tanaka S
    Comput Struct Biotechnol J; 2018; 16():421-434. PubMed ID: 30450166
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.
    El Bakri Y; Anouar EH; Ahmad S; Nassar AA; Taha ML; Mague JT; El Ghayati L; Essassi EM
    Appl Biochem Biotechnol; 2021 Nov; 193(11):3602-3623. PubMed ID: 34324152
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multiscale Quantum Refinement Approaches for Metalloproteins.
    Yan Z; Li X; Chung LW
    J Chem Theory Comput; 2021 Jun; 17(6):3783-3796. PubMed ID: 34032440
    [TBL] [Abstract][Full Text] [Related]  

  • 13. In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main Protease.
    de Oliveira Só YA; Bezerra KS; Gargano R; Mendonça FLL; Souto JT; Fulco UL; Pereira Junior ML; Junior LAR
    Biomolecules; 2024 Jun; 14(7):. PubMed ID: 39062468
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit.
    Watanabe C; Tanaka S; Okiyama Y; Yuki H; Ohyama T; Kamisaka K; Takaya D; Fukuzawa K; Honma T
    J Phys Chem Lett; 2023 Apr; 14(15):3609-3620. PubMed ID: 37023394
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structural biology of zinc.
    Christianson DW
    Adv Protein Chem; 1991; 42():281-355. PubMed ID: 1793007
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Zinc thiotropolone combinations as inhibitors of the SARS-CoV-2 main protease.
    DeLaney C; Sheng Y; Pectol DC; Vantansever E; Zhang H; Bhuvanesh N; Salas I; Liu WR; Fierke CF; Darensbourg MY
    Dalton Trans; 2021 Sep; 50(35):12226-12233. PubMed ID: 34396374
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum simulations of SARS-CoV-2 main protease M
    Wang Y; Murlidaran S; Pearlman DA
    J Comput Aided Mol Des; 2021 Sep; 35(9):963-971. PubMed ID: 34328586
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Visualization analysis of inter-fragment interaction energies of CRP-cAMP-DNA complex based on the fragment molecular orbital method.
    Kurisaki I; Fukuzawa K; Komeiji Y; Mochizuki Y; Nakano T; Imada J; Chmielewski A; Rothstein SM; Watanabe H; Tanaka S
    Biophys Chem; 2007 Oct; 130(1-2):1-9. PubMed ID: 17656003
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Taking Water into Account with the Fragment Molecular Orbital Method.
    Okiyama Y; Fukuzawa K; Komeiji Y; Tanaka S
    Methods Mol Biol; 2020; 2114():105-122. PubMed ID: 32016889
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.