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 *

203 related articles for article (PubMed ID: 32096995)

  • 1. Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field.
    Khan HM; Souza PCT; Thallmair S; Barnoud J; de Vries AH; Marrink SJ; Reuter N
    J Chem Theory Comput; 2020 Apr; 16(4):2550-2560. PubMed ID: 32096995
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)
    Khan HM; Grauffel C; Broer R; MacKerell AD; Havenith RW; Reuter N
    J Chem Theory Comput; 2016 Nov; 12(11):5585-5595. PubMed ID: 27682345
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.
    Hu Y; Sinha SK; Patel S
    J Phys Chem B; 2014 Oct; 118(41):11973-92. PubMed ID: 25290376
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Interfacial Aromatics Mediating Cation-π Interactions with Choline-Containing Lipids Can Contribute as Much to Peripheral Protein Affinity for Membranes as Aromatics Inserted below the Phosphates.
    Waheed Q; Khan HM; He T; Roberts M; Gershenson A; Reuter N
    J Phys Chem Lett; 2019 Jul; 10(14):3972-3977. PubMed ID: 31246477
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulations.
    Wassenaar TA; Ingólfsson HI; Priess M; Marrink SJ; Schäfer LV
    J Phys Chem B; 2013 Apr; 117(13):3516-30. PubMed ID: 23406326
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field.
    Borges-Araújo L; Souza PCT; Fernandes F; Melo MN
    J Chem Theory Comput; 2022 Jan; 18(1):357-373. PubMed ID: 34962393
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family.
    van Teijlingen A; Smith MC; Tuttle T
    Acc Chem Res; 2023 Mar; 56(6):644-654. PubMed ID: 36866851
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Interfacial tryptophan residues: a role for the cation-pi effect?
    Petersen FN; Jensen MØ; Nielsen CH
    Biophys J; 2005 Dec; 89(6):3985-96. PubMed ID: 16150973
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Dry Martini, a coarse-grained force field for lipid membrane simulations with implicit solvent.
    Arnarez C; Uusitalo JJ; Masman MF; Ingólfsson HI; de Jong DH; Melo MN; Periole X; de Vries AH; Marrink SJ
    J Chem Theory Comput; 2015 Jan; 11(1):260-75. PubMed ID: 26574224
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A New Coarse-Grained Force Field for Membrane-Peptide Simulations.
    Wu Z; Cui Q; Yethiraj A
    J Chem Theory Comput; 2011 Nov; 7(11):3793-802. PubMed ID: 26598270
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Improved prediction of bilayer and monolayer properties using a refined BMW-MARTINI force field.
    Miguel V; Perillo MA; Villarreal MA
    Biochim Biophys Acta; 2016 Nov; 1858(11):2903-2910. PubMed ID: 27591685
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A Practical View of the Martini Force Field.
    Bruininks BMH; Souza PCT; Marrink SJ
    Methods Mol Biol; 2019; 2022():105-127. PubMed ID: 31396901
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Estimating the accuracy of the MARTINI model towards the investigation of peripheral protein-membrane interactions.
    Srinivasan S; Zoni V; Vanni S
    Faraday Discuss; 2021 Dec; 232(0):131-148. PubMed ID: 34543365
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Polarizable water model for the coarse-grained MARTINI force field.
    Yesylevskyy SO; Schäfer LV; Sengupta D; Marrink SJ
    PLoS Comput Biol; 2010 Jun; 6(6):e1000810. PubMed ID: 20548957
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Potential of mean force analysis of the self-association of leucine-rich transmembrane α-helices: difference between atomistic and coarse-grained simulations.
    Nishizawa M; Nishizawa K
    J Chem Phys; 2014 Aug; 141(7):075101. PubMed ID: 25149815
    [TBL] [Abstract][Full Text] [Related]  

  • 16. How does proteinase 3 interact with lipid bilayers?
    Broemstrup T; Reuter N
    Phys Chem Chem Phys; 2010 Jul; 12(27):7487-96. PubMed ID: 20532386
    [TBL] [Abstract][Full Text] [Related]  

  • 17. On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer.
    Mustafa G; Nandekar PP; Yu X; Wade RC
    J Chem Phys; 2015 Dec; 143(24):243139. PubMed ID: 26723624
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions.
    Michalowsky J; Schäfer LV; Holm C; Smiatek J
    J Chem Phys; 2017 Feb; 146(5):054501. PubMed ID: 28178817
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations.
    Gu RX; Ingólfsson HI; de Vries AH; Marrink SJ; Tieleman DP
    J Phys Chem B; 2017 Apr; 121(15):3262-3275. PubMed ID: 27610460
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force Field.
    Khan HM; MacKerell AD; Reuter N
    J Chem Theory Comput; 2019 Jan; 15(1):7-12. PubMed ID: 30562013
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.