BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

239 related articles for article (PubMed ID: 32510956)

  • 1. Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models.
    Li Z; Song LF; Li P; Merz KM
    J Chem Theory Comput; 2020 Jul; 16(7):4429-4442. PubMed ID: 32510956
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models.
    Sengupta A; Li Z; Song LF; Li P; Merz KM
    J Chem Inf Model; 2021 Feb; 61(2):869-880. PubMed ID: 33538599
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models.
    Li Z; Song LF; Li P; Merz KM
    J Chem Theory Comput; 2021 Apr; 17(4):2342-2354. PubMed ID: 33793233
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Rational Design of Nonbonded Point Charge Models for Monovalent Ions with Lennard-Jones 12-6 Potential.
    Qiu Y; Jiang Y; Zhang Y; Zhang H
    J Phys Chem B; 2021 Dec; 125(49):13502-13518. PubMed ID: 34860517
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Rational Design of Nonbonded Point Charge Models for Divalent Metal Cations with Lennard-Jones 12-6 Potential.
    Zhang Y; Jiang Y; Peng J; Zhang H
    J Chem Inf Model; 2021 Aug; 61(8):4031-4044. PubMed ID: 34313132
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Rational Design of Nonbonded Point Charge Models for Highly Charged Metal Cations with Lennard-Jones 12-6 Potential.
    Zhang Y; Jiang Y; Qiu Y; Zhang H
    J Chem Inf Model; 2021 Sep; 61(9):4613-4629. PubMed ID: 34467756
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent.
    Li P; Roberts BP; Chakravorty DK; Merz KM
    J Chem Theory Comput; 2013 Jun; 9(6):2733-2748. PubMed ID: 23914143
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models.
    Zhang H; Yin C; Jiang Y; van der Spoel D
    J Chem Inf Model; 2018 May; 58(5):1037-1052. PubMed ID: 29648448
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model.
    Li P; Song LF; Merz KM
    J Chem Theory Comput; 2015 Apr; 11(4):1645-57. PubMed ID: 26574374
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulations.
    Döpke MF; Moultos OA; Hartkamp R
    J Chem Phys; 2020 Jan; 152(2):024501. PubMed ID: 31941316
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties in SPC/E, TIP3P-fb, TIP4P/2005, TIP4P-Ew, and TIP4P-D.
    Grotz KK; Schwierz N
    J Chem Theory Comput; 2022 Jan; 18(1):526-537. PubMed ID: 34881568
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water.
    Li P; Song LF; Merz KM
    J Phys Chem B; 2015 Jan; 119(3):883-95. PubMed ID: 25145273
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of Ions.
    Li P; Merz KM
    J Chem Theory Comput; 2014 Jan; 10(1):289-297. PubMed ID: 24659926
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Modeling thermodiffusion in aqueous sodium chloride solutions-Which water model is best?
    Hutchinson AJ; Torres JF; Corry B
    J Chem Phys; 2022 Apr; 156(16):164503. PubMed ID: 35490021
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Rational Design of Methodology-Independent Metal Parameters Using a Nonbonded Dummy Model.
    Jiang Y; Zhang H; Tan T
    J Chem Theory Comput; 2016 Jul; 12(7):3250-60. PubMed ID: 27182744
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Lennard-Jones Parameters Determined to Reproduce the Solubility of NaCl and KCl in SPC/E, TIP3P, and TIP4P/2005 Water.
    Yagasaki T; Matsumoto M; Tanaka H
    J Chem Theory Comput; 2020 Apr; 16(4):2460-2473. PubMed ID: 32207974
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Correction to "Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models".
    Sengupta A; Li Z; Song LF; Li P; Merz KM
    J Chem Inf Model; 2021 Jul; 61(7):3734-3735. PubMed ID: 34180237
    [No Abstract]   [Full Text] [Related]  

  • 18. Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations.
    Joung IS; Cheatham TE
    J Phys Chem B; 2008 Jul; 112(30):9020-41. PubMed ID: 18593145
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Simulations of lipid bilayers using the CHARMM36 force field with the TIP3P-FB and TIP4P-FB water models.
    Sajadi F; Rowley CN
    PeerJ; 2018; 6():e5472. PubMed ID: 30128211
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects.
    Krämer A; Pickard FC; Huang J; Venable RM; Simmonett AC; Reith D; Kirschner KN; Pastor RW; Brooks BR
    J Chem Theory Comput; 2019 Jun; 15(6):3854-3867. PubMed ID: 31002505
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.