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- [1] Direct observation of salt effects on molecular interactions through explicit-solvent molecular dynamics simulations: Differential effects on electrostatic and hydrophobic interactions and comparisons to Poisson-Boltzmann theoryJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (24) : 7796 - 7806Thomas, Andrew S.Elcock, Adrian H.
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- [3] Direct Comparison of Amino Acid and Salt Interactions with Double-Stranded and Single-Stranded DNA from Explicit-Solvent Molecular Dynamics SimulationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 13 (04) : 1794 - 1811Andrews, Casey T.Campbell, Brady A.Elcock, Adrian H.
- [5] Exploring the inter-molecular interactions in amyloid-β protofibril with molecular dynamics simulations and molecular mechanics Poisson-Boltzmann surface area free energy calculationsJOURNAL OF CHEMICAL PHYSICS, 2012, 136 (14):Liu, Fu-FengLiu, ZhenBai, ShuDong, Xiao-YanSun, Yan
- [6] Review: Continuum molecular electrostatics, salt effects, and counterion binding-a review of the Poisson-Boltzmann theory and its modificationsBIOPOLYMERS, 2008, 89 (02) : 93 - 113Grochowski, PawelTrylska, Joanna
- [7] Coupling Effects of Electrostatic Interactions and Salt Concentration Gradient in Polymer Translocation through a Nanopore: A Coarse-Grained Molecular Dynamics Simulations StudyCHEMPHYSCHEM, 2023, 24 (04)Dabhade, AkashChauhan, AkshayChaudhury, Srabanti
- [8] Polyunsaturation effects on Protein:Lipid interactions:: Molecular dynamics simulations of rhodopsin in an explicit DHA bilayerBIOPHYSICAL JOURNAL, 2003, 84 (02) : 331A - 331AFeller, SEWoolf, TB
- [9] Effects of Solute Structure on Local Solvation and Solvent Interactions: Results from UV/Vis Spectroscopy and Molecular Dynamics SimulationsJOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (47): : 14993 - 14998Gohres, John L.Shukla, Charu L.Popov, Alexander V.Hernandez, RigobertoLiotta, Charles L.Eckert, Charles A.
- [10] Molecular Dynamics Simulations of PIP2 and PIP3 in Lipid Bilayers: Determination of Ring Orientation, and the Effects of Surface Roughness on a Poisson-Boltzmann DescriptionBIOPHYSICAL JOURNAL, 2009, 97 (01) : 155 - 163Li, ZhengVenable, Richard M.Rogers, Laura A.Murray, DianaPastor, Richard W.