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Results: 1-19 |
Results: 19
Solubility of organic compounds in water/octanol systems. A expanded ensemble molecular dynamics simulation study of log P parameters
Authors: Lyubartsev, AP Jacobsson, SP Sundholm, G Laaksonen, A
Citation: Ap. Lyubartsev et al., Solubility of organic compounds in water/octanol systems. A expanded ensemble molecular dynamics simulation study of log P parameters, J PHYS CH B, 105(32), 2001, pp. 7775-7782
Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixture
Authors: Vishnyakov, A Lyubartsev, AP Laaksonen, A
Citation: A. Vishnyakov et al., Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixture, J PHYS CH A, 105(10), 2001, pp. 1702-1710
Spermine: An "invisible" component in the crystals of B-DNA. A grand canonical Monte Carlo and molecular dynamics simulation study
Authors: Korolev, N Lyubartsev, AP Nordenskiold, L Laaksonen, A
Citation: N. Korolev et al., Spermine: An "invisible" component in the crystals of B-DNA. A grand canonical Monte Carlo and molecular dynamics simulation study, J MOL BIOL, 308(5), 2001, pp. 907-917
Hydration of Li+ ion. An ab initio molecular dynamics simulation
Authors: Lyubartsev, AP Laasonen, K Laaksonen, A
Citation: Ap. Lyubartsev et al., Hydration of Li+ ion. An ab initio molecular dynamics simulation, J CHEM PHYS, 114(7), 2001, pp. 3120-3126
McMillan-Mayer theory for solvent effects in inhomogeneous systems: Calculation of interaction pressure in aqueous electrical double layers
Authors: Kjellander, R Lyubartsev, AP Marcelja, S
Citation: R. Kjellander et al., McMillan-Mayer theory for solvent effects in inhomogeneous systems: Calculation of interaction pressure in aqueous electrical double layers, J CHEM PHYS, 114(21), 2001, pp. 9565-9577
Competitive substitution of hexammine cobalt(III) for Na+ and K+ ions in oriented DNA fibers
Authors: Korolev, N Lyubartsev, AP Rupprecht, A Nordenskiold, L
Citation: N. Korolev et al., Competitive substitution of hexammine cobalt(III) for Na+ and K+ ions in oriented DNA fibers, BIOPOLYMERS, 58(3), 2001, pp. 268-278
Computer simulation study of tert-butyl alcohol. 1. Structure in the pure liquid
Authors: Kusalik, PG Lyubartsev, AP Bergman, DL Laaksonen, A
Citation: Pg. Kusalik et al., Computer simulation study of tert-butyl alcohol. 1. Structure in the pure liquid, J PHYS CH B, 104(40), 2000, pp. 9526-9532
Computer simulation study of tert-butyl alcohol. 2. Structure in aqueous solution
Authors: Kusalik, PG Lyubartsev, AP Bergman, DL Laaksonen, A
Citation: Pg. Kusalik et al., Computer simulation study of tert-butyl alcohol. 2. Structure in aqueous solution, J PHYS CH B, 104(40), 2000, pp. 9533-9539
M.DynaMix - a scalable portable parallel MD simulation package for arbitrary molecular mixtures
Authors: Lyubartsev, AP Laaksonen, A
Citation: Ap. Lyubartsev et A. Laaksonen, M.DynaMix - a scalable portable parallel MD simulation package for arbitrary molecular mixtures, COMP PHYS C, 128(3), 2000, pp. 565-589
Determination of effective pair potentials from ab initio simulations: application to liquid water
Authors: Lyubartsev, AP Laaksonen, A
Citation: Ap. Lyubartsev et A. Laaksonen, Determination of effective pair potentials from ab initio simulations: application to liquid water, CHEM P LETT, 325(1-3), 2000, pp. 15-21
Experimental and Monte Carlo simulation studies on the competitive bindingof Li+, Na+, and K+ ions to DNA in oriented DNA fibers
Authors: Korolev, N Lyubartsev, AP Rupprecht, A Nordenskiold, L
Citation: N. Korolev et al., Experimental and Monte Carlo simulation studies on the competitive bindingof Li+, Na+, and K+ ions to DNA in oriented DNA fibers, J PHYS CH B, 103(42), 1999, pp. 9008-9019
Topological and spatial aspects of the hydration of solutes of extreme solvation entropy
Authors: Bergman, DL Lyubartsev, AP Laaksonen, A
Citation: Dl. Bergman et al., Topological and spatial aspects of the hydration of solutes of extreme solvation entropy, PHYS REV E, 60(4), 1999, pp. 4482-4495
Effective potentials for ion-DNA interactions
Authors: Lyubartsev, AP Laaksonen, A
Citation: Ap. Lyubartsev et A. Laaksonen, Effective potentials for ion-DNA interactions, J CHEM PHYS, 111(24), 1999, pp. 11207-11215
Reconstruction of pair interaction potentials from radial distribution functions
Authors: Lyubartsev, AP Laaksonen, A
Citation: Ap. Lyubartsev et A. Laaksonen, Reconstruction of pair interaction potentials from radial distribution functions, COMP PHYS C, 122, 1999, pp. 57-59
Competitive binding of Mg2+, Ca2+, Na+, and K+ ions to DNA in oriented DNAfibers: Experimental and Monte Carlo simulation results
Authors: Korolev, N Lyubartsev, AP Rupprecht, A Nordenskiold, L
Citation: N. Korolev et al., Competitive binding of Mg2+, Ca2+, Na+, and K+ ions to DNA in oriented DNAfibers: Experimental and Monte Carlo simulation results, BIOPHYS J, 77(5), 1999, pp. 2736-2749
Self-diffusion and association of Li+, Cs+, and H2O in oriented DNA fibers. An NMR and MD simulation study
Authors: van Dam, L Lyubartsev, AP Laaksonen, A Nordenskiold, L
Citation: L. Van Dam et al., Self-diffusion and association of Li+, Cs+, and H2O in oriented DNA fibers. An NMR and MD simulation study, J PHYS CH B, 102(51), 1998, pp. 10636-10642
Molecular dynamics simulations of DNA in solution with different counter-ions
Authors: Lyubartsev, AP Laaksonen, A
Citation: Ap. Lyubartsev et A. Laaksonen, Molecular dynamics simulations of DNA in solution with different counter-ions, J BIO STRUC, 16(3), 1998, pp. 579
Electrostatically induced polyelectrolyte association of rodlike virus particles
Authors: Lyubartsev, AP Tang, JX Janmey, PA Nordenskiold, L
Citation: Ap. Lyubartsev et al., Electrostatically induced polyelectrolyte association of rodlike virus particles, PHYS REV L, 81(24), 1998, pp. 5465-5468
Application of polyelectrolyte theories for analysis of DNA melting in thepresence of Na+ and Mg2+ ions
Authors: Korolev, N Lyubartsev, AP Nordenskiold, L
Citation: N. Korolev et al., Application of polyelectrolyte theories for analysis of DNA melting in thepresence of Na+ and Mg2+ ions, BIOPHYS J, 75(6), 1998, pp. 3041-3056
Risultati: 1-19 |