25 results on '"Lyubartsev, Alexander P."'
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2. A Systematic Study of Nucleosome Core Particle and Nucleosome-Nucleosome Stacking Structure
3. Computationally based analysis of the energy efficiency of a CO2 capture process
4. Anesthetics mechanism on a DMPC lipid membrane model: Insights from molecular dynamics simulations
5. Force Field Development for Lipid Membrane Simulations
6. Multiscale coarse-grained modelling of chromatin components: DNA and the nucleosome
7. Interactions and Stacking in Ordered Mononucleosomes and Folded Chromatin: Effects of Histone Tail Modifications
8. Understanding Protein-Membrane Interactions via Free Energy Calculations
9. Nucleosome-Nucleosome Stacking: A Major Element of Chromatin Structure
10. Molecular dynamics simulations of local anesthetic articaine in a lipid bilayer
11. Electrostatic Origin of Salt-Induced Nucleosome Array Compaction
12. Cation-induced polyelectrolyte–polyelectrolyte attraction in solutions of DNA and nucleosome core particles
13. Computer Modeling Reveals that Modifications of the Histone Tail Charges Define Salt-Dependent Interaction of the Nucleosome Core Particles
14. Counterion Induced Electrostatic Condensation Of Nucleosomes And Chromatin Arrays
15. NMR investigations of interactions between anesthetics and lipid bilayers
16. Effect of Local Anesthetic Lidocaine on Electrostatic Properties of a Lipid Bilayer
17. Dynamical and structural properties of charged and uncharged lidocaine in a lipid bilayer
18. Computer Modeling Demonstrates that Electrostatic Attraction of Nucleosomal DNA is Mediated by Histone Tails
19. Application of the Poisson Boltzmann polyelectrolyte model for analysis of thermal denaturation of DNA in the presence of Na+ and polyamine cations
20. On the Competition between Water, Sodium Ions, and Spermine in Binding to DNA: A Molecular Dynamics Computer Simulation Study
21. Spermine: an “invisible” component in the crystals of B-DNA. A grand canonical Monte Carlo and molecular dynamics simulation study
22. M.DynaMix – a scalable portable parallel MD simulation package for arbitrary molecular mixtures
23. Competitive Binding of Mg2+, Ca2+, Na+, and K+ Ions to DNA in Oriented DNA Fibers: Experimental and Monte Carlo Simulation Results
24. Reconstruction of pair interaction potentials from radial distribution functions
25. Application of Polyelectrolyte Theories for Analysis of DNA Melting in the Presence of Na+ and Mg2+ Ions
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